2-{[3-(2-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[3-(2-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
2-{[3-(2-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K286-4104 |
| Compound Name: | 2-{[3-(2-methylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 584.66 |
| Molecular Formula: | C27 H19 F3 N4 O2 S3 |
| Smiles: | Cc1ccccc1N1C2=C(C(N(C(=N2)SCC(Nc2ccccc2C(F)(F)F)=O)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.7298 |
| logD: | 5.7298 |
| logSw: | -5.4546 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.105 |
| InChI Key: | NTXGWRLKZATFAI-UHFFFAOYSA-N |