2-[(9H-purin-6-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(9H-purin-6-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
2-[(9H-purin-6-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | D691-0063 |
| Compound Name: | 2-[(9H-purin-6-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 353.32 |
| Molecular Formula: | C14 H10 F3 N5 O S |
| Smiles: | C(C(Nc1cccc(c1)C(F)(F)F)=O)Sc1c2c(ncn1)[nH]cn2 |
| Stereo: | ACHIRAL |
| logP: | 2.4902 |
| logD: | 2.4897 |
| logSw: | -2.9475 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.684 |
| InChI Key: | QVQSVVZTXYSZED-UHFFFAOYSA-N |