2-[(9-ethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(9-ethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
2-[(9-ethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G754-0019 |
| Compound Name: | 2-[(9-ethyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 397.38 |
| Molecular Formula: | C16 H14 F3 N5 O2 S |
| Smiles: | CCn1c2c(C(NC=N2)=O)nc1SCC(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0835 |
| logD: | 2.0829 |
| logSw: | -3.0286 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.879 |
| InChI Key: | KFYWLOZRWANOHW-UHFFFAOYSA-N |