N-[5-chloro-2-(trifluoromethyl)phenyl]-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[5-chloro-2-(trifluoromethyl)phenyl]-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[5-chloro-2-(trifluoromethyl)phenyl]-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7795 |
| Compound Name: | N-[5-chloro-2-(trifluoromethyl)phenyl]-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 415.82 |
| Molecular Formula: | C16 H13 Cl F3 N5 O S |
| Smiles: | Cc1nnc(n1n1cccc1)SCC(Nc1cc(ccc1C(F)(F)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9349 |
| logD: | 2.9347 |
| logSw: | -3.6135 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.647 |
| InChI Key: | XBJPIEPANQKCHS-UHFFFAOYSA-N |