2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | J095-0081 |
| Compound Name: | 2-[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 383.35 |
| Molecular Formula: | C15 H12 F3 N5 O2 S |
| Smiles: | Cn1c2c(C(NC=N2)=O)nc1SCC(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9966 |
| logD: | 1.996 |
| logSw: | -2.8175 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.662 |
| InChI Key: | RXKLYNPCLVNOOG-UHFFFAOYSA-N |