2-{[3-(4-chloro-3-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[3-(4-chloro-3-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
2-{[3-(4-chloro-3-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | K286-3528 |
| Compound Name: | 2-{[3-(4-chloro-3-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 482.02 |
| Molecular Formula: | C17 H12 Cl N5 O2 S4 |
| Smiles: | Cc1cc(ccc1[Cl])N1C2=C(C(NC(=N2)SCC(Nc2nccs2)=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.8273 |
| logD: | 3.8257 |
| logSw: | -4.1869 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.924 |
| InChI Key: | DCDLBEUPUDDHGD-UHFFFAOYSA-N |