2-[(1,3-dimethyl-2,6-dioxo-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Chemical Structure Depiction of
2-[(1,3-dimethyl-2,6-dioxo-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
2-[(1,3-dimethyl-2,6-dioxo-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 8017-4597 |
| Compound Name: | 2-[(1,3-dimethyl-2,6-dioxo-7-{[3-(trifluoromethyl)phenyl]methyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 510.52 |
| Molecular Formula: | C20 H17 F3 N6 O3 S2 |
| Smiles: | CN1C(c2c(nc(n2Cc2cccc(c2)C(F)(F)F)SCC(Nc2nccs2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7839 |
| logD: | 3.7834 |
| logSw: | -3.9713 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.642 |
| InChI Key: | KCMGNAGNVMLYTR-UHFFFAOYSA-N |