2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | G856-7823 |
| Compound Name: | 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C21 H18 F N5 O S |
| Smiles: | C(c1ccccc1)c1nnc(n1n1cccc1)SCC(Nc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7472 |
| logD: | 3.7471 |
| logSw: | -4.0676 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.272 |
| InChI Key: | SUNQFAQCMHMILI-UHFFFAOYSA-N |