(2RS)-3-(benzylsulfanyl)-N-(3-chloro-4-methoxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
Chemical Structure Depiction of
(2RS)-3-(benzylsulfanyl)-N-(3-chloro-4-methoxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
(2RS)-3-(benzylsulfanyl)-N-(3-chloro-4-methoxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
Compound characteristics
Compound ID: | C561-0178 |
Compound Name: | (2RS)-3-(benzylsulfanyl)-N-(3-chloro-4-methoxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide |
Molecular Weight: | 466.99 |
Molecular Formula: | C25 H23 Cl N2 O3 S |
Smiles: | COc1ccc(cc1[Cl])NC([C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.9251 |
logD: | 4.9217 |
logSw: | -4.9645 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 46.697 |
InChI Key: | BJXGGIDIZGUEHO-QFIPXVFZSA-N |