2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G856-7792 |
| Compound Name: | 2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 367.35 |
| Molecular Formula: | C15 H12 F3 N5 O S |
| Smiles: | C(C(Nc1cccc(c1)C(F)(F)F)=O)Sc1nncn1n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9038 |
| logD: | 2.9034 |
| logSw: | -3.3981 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.902 |
| InChI Key: | NTJQCZOQBRUBKS-UHFFFAOYSA-N |