N-(4-acetylphenyl)-2-{[3-(4-chlorophenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{[3-(4-chlorophenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(4-acetylphenyl)-2-{[3-(4-chlorophenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C200-6878 |
| Compound Name: | N-(4-acetylphenyl)-2-{[3-(4-chlorophenyl)-6-methyl-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 517.05 |
| Molecular Formula: | C22 H17 Cl N4 O3 S3 |
| Smiles: | CC(c1ccc(cc1)NC(CSC1=NC2=C(C(N1C)=O)SC(N2c1ccc(cc1)[Cl])=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6673 |
| logD: | 3.6672 |
| logSw: | -4.215 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.579 |
| InChI Key: | VUESJDBWUGICFD-UHFFFAOYSA-N |