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-(3-methoxyphenyl)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-(3-methoxyphenyl)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-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K286-3717 |
| 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-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 505.03 |
| Molecular Formula: | C21 H17 Cl N4 O3 S3 |
| Smiles: | Cc1cc(ccc1[Cl])N1C2=C(C(NC(=N2)SCC(Nc2cccc(c2)OC)=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.7278 |
| logD: | 4.7262 |
| logSw: | -4.8884 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.989 |
| InChI Key: | OPLLBOFLHLUCOB-UHFFFAOYSA-N |