2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G856-9717 |
| Compound Name: | 2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 449.47 |
| Molecular Formula: | C19 H14 F3 N5 O S2 |
| Smiles: | C(C(Nc1cccc(c1)C(F)(F)F)=O)Sc1nnc(c2cccs2)n1n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7246 |
| logD: | 4.7241 |
| logSw: | -4.7672 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.314 |
| InChI Key: | OSBJHZCPXDPODY-UHFFFAOYSA-N |