N-(3-chloro-4-methylphenyl)-2-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
N-(3-chloro-4-methylphenyl)-2-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | F092-0443 |
Compound Name: | N-(3-chloro-4-methylphenyl)-2-[(7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide |
Molecular Weight: | 475.01 |
Molecular Formula: | C20 H15 Cl N4 O2 S3 |
Smiles: | Cc1ccc(cc1[Cl])NC(CSC1NC(C2=C(N=1)N(C(=S)S2)c1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.5546 |
logD: | 4.553 |
logSw: | -4.5739 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 59.445 |
InChI Key: | BOWYUAGCZKMLMR-UHFFFAOYSA-N |