N-[2-chloro-5-(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-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[2-chloro-5-(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: | G856-9711 |
| Compound Name: | N-[2-chloro-5-(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(Nc1cc(ccc1[Cl])C(F)(F)F)=O)Sc1nnc(c2cccs2)n1n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9063 |
| logD: | 4.8736 |
| logSw: | -5.1854 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.616 |
| InChI Key: | NKUGAARTMJXZSJ-UHFFFAOYSA-N |