2-{[3-(4-chlorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(5-fluoro-2-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[3-(4-chlorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(5-fluoro-2-methylphenyl)acetamide
2-{[3-(4-chlorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(5-fluoro-2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F092-0210 |
| Compound Name: | 2-{[3-(4-chlorophenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(5-fluoro-2-methylphenyl)acetamide |
| Molecular Weight: | 493 |
| Molecular Formula: | C20 H14 Cl F N4 O2 S3 |
| Smiles: | Cc1ccc(cc1NC(CSC1NC(C2=C(N=1)N(C(=S)S2)c1ccc(cc1)[Cl])=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 3.803 |
| logD: | 3.8014 |
| logSw: | -4.3943 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.748 |
| InChI Key: | RTIQWYWDMBBTHF-UHFFFAOYSA-N |