N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[5-methyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7797 |
| Compound Name: | N-[4-chloro-3-(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(Nc1ccc(c(c1)C(F)(F)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5318 |
| logD: | 3.5049 |
| logSw: | -3.992 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.345 |
| InChI Key: | WOGLAVLKGAHFCL-UHFFFAOYSA-N |