N-(4-fluorophenyl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-fluorophenyl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-9696 |
| Compound Name: | N-(4-fluorophenyl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C19 H15 F N6 O S |
| Smiles: | C(C(Nc1ccc(cc1)F)=O)Sc1nnc(c2ccncc2)n1n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.741 |
| logD: | 2.7403 |
| logSw: | -2.9558 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.724 |
| InChI Key: | XFPQKZPJJYOCPD-UHFFFAOYSA-N |