N-(2-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-(2-fluorophenyl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2-fluorophenyl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-9674 |
| Compound Name: | N-(2-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(Nc1ccccc1F)=O)Sc1nnc(c2ccncc2)n1n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.492 |
| logD: | 2.4913 |
| logSw: | -2.5988 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.026 |
| InChI Key: | NLCJQLOQWAHASX-UHFFFAOYSA-N |