N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D691-0096 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 387.77 |
| Molecular Formula: | C14 H9 Cl F3 N5 O S |
| Smiles: | C(C(Nc1cc(ccc1[Cl])C(F)(F)F)=O)Sc1c2c(ncn1)[nH]cn2 |
| Stereo: | ACHIRAL |
| logP: | 2.6719 |
| logD: | 2.6352 |
| logSw: | -3.5455 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.986 |
| InChI Key: | ISOVCYOUMAZMLP-UHFFFAOYSA-N |