N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-9715 |
| Compound Name: | N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 483.92 |
| Molecular Formula: | C19 H13 Cl F3 N5 O S2 |
| Smiles: | C(C(Nc1ccc(c(c1)C(F)(F)F)[Cl])=O)Sc1nnc(c2cccs2)n1n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2885 |
| logD: | 5.2617 |
| logSw: | -5.9767 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.314 |
| InChI Key: | QLWZOQNEXGQUSN-UHFFFAOYSA-N |