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}-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
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}-N-[4-(propan-2-yl)phenyl]acetamide
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}-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | C200-6889 |
| Compound Name: | 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}-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 517.09 |
| Molecular Formula: | C23 H21 Cl N4 O2 S3 |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1=NC2=C(C(N1C)=O)SC(N2c1ccc(cc1)[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4634 |
| logD: | 5.4634 |
| logSw: | -6.2055 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.753 |
| InChI Key: | JQWYBXHCOWJQGK-UHFFFAOYSA-N |