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IJ 5. Ͳ ղ̲ 547.835:615.015 ˲ԲͲ S-ղ Ͳ̲ ˲ . ., ..., , . ., ..., , ...

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IJ 5. Ͳ ղ̲

547.835:615.015

˲ԲͲ S-ղ Ͳ̲

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. ., ..., , . ., ..., ,

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ACDLABS 10 Chemoffice 6.0

S- . logP --. LogP ACDLABS 10. ǒ, 6- .

: S- , , .

. ., . ., . ., .., . ., . . S- / , ACDLABS 10 Chemoffice 6.0 S- . logP --. LogP ACDLABS 10. , 6- .

: S- , , .

Zavgorodniy M.P., Brazhko A.A., Omelyanchik L.A., Novosad N.V., Gencheva V.I., Petrusha J.J.

LIPOPHILICITY S-DERIVATIVES OF NITROGEN HETEROCYCLES / Zaporizhzhya National University, Ukraine By ACDLABS 10 and Chemoffice 6.0 softwares the values of lipophilicity are expected for connections - S- derivatives of nitrogen heterocycles. Experimentally determined logP in the system n-octanol-water. Most exact sacks of coefficients of distributing of LogP are got the by the program ACDLABS 10. It is found out that lipophilicity connections depends on nature of heterocycle and deputies in a 6-m position of quinoline cycle.

Key words: S-derivatives of nitrogen heterocycles, liopfilnist, distribution coefficient ' - - , (logP) [ 1-5, 7, 8].

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[6-8]. ' , S- [8]. LogP - S- (lgPo/w).

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-9-) L- [5].

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140 .


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soluteoc tan ol ) (2) LogPoct / wat log( solutewater logP ACDLABS.10 Chemoffice.6.0.

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logP ACDLABS 10 Chemoffice 6.0 2.

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2 logP S-

   

, 2, 1 N--S-(-4-)-L-.

N-S-(6--2--4-) ( 5), N--S-(-9-)L- ( 6) N--S-(7--1,2,3,4--9-)L ( 7). 1 22-25 .

logP , , ACDLABS 10.

, 6- .

S- .

1. S- ACDLABS 10 Chemoffice.6 0.

³ 2, 2012

2. --.

, 6- . N--S-(6--2-4-), N--S-(-9-)-L- N--S-(7-1,2,3,4--9-) L- 3,781,49 3,530,13, 2,851,50 3,120,16, 2,160,77 3,40,15 .

3. , , , . ACDLABS.10.

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1. .. / .., .., ... :. 2005. . 18-31; 403-431.

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, 2008. .2. 776 .

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5. .. - / . , .. // ³ - 쳿 쳿 . . .. : :. . 2008. . 5. . 125-130.

6. S- / [ .., .., .. ..] // ³ . : . 2005. . 1. . 113119.

7. .. - : . . : 02.00.10 / . ., 2005. 456 .

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54.08:[664.41:637.334.7]



Pages:   || 2 |
 
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