2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of
2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | G856-7728 |
| Compound Name: | 2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 383.35 |
| Molecular Formula: | C15 H12 F3 N5 O2 S |
| Smiles: | C(C(Nc1ccc(cc1)OC(F)(F)F)=O)Sc1nncn1n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0518 |
| logD: | 3.0518 |
| logSw: | -3.5706 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.838 |
| InChI Key: | JRRCMHGKGWNAIR-UHFFFAOYSA-N |