2-({3-[(furan-2-yl)methyl]-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-({3-[(furan-2-yl)methyl]-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide
2-({3-[(furan-2-yl)methyl]-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
Compound ID: | K286-4327 |
Compound Name: | 2-({3-[(furan-2-yl)methyl]-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide |
Molecular Weight: | 534.68 |
Molecular Formula: | C26 H22 N4 O3 S3 |
Smiles: | Cc1ccc(CNC(CSC2=NC3=C(C(N2c2ccccc2)=O)SC(N3Cc2ccco2)=S)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.6199 |
logD: | 4.6199 |
logSw: | -4.2919 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.786 |
InChI Key: | AOXHFBRFJCWXAP-UHFFFAOYSA-N |