2-({5-[(4-chlorophenyl)methyl]-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide
Chemical Structure Depiction of
2-({5-[(4-chlorophenyl)methyl]-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide
2-({5-[(4-chlorophenyl)methyl]-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | G856-9724 |
| Compound Name: | 2-({5-[(4-chlorophenyl)methyl]-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluorophenyl)acetamide |
| Molecular Weight: | 441.91 |
| Molecular Formula: | C21 H17 Cl F N5 O S |
| Smiles: | C(c1ccc(cc1)[Cl])c1nnc(n1n1cccc1)SCC(Nc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3419 |
| logD: | 4.3418 |
| logSw: | -4.6386 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.272 |
| InChI Key: | ZDEKQZQMWCEUPU-UHFFFAOYSA-N |