2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | C592-2638 |
| Compound Name: | 2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)acetamide |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C23 H22 F N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1Cc1ccccc1)SCC(Nc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8216 |
| logD: | 3.8215 |
| logSw: | -3.9457 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.295 |
| InChI Key: | BBMTWIXJRUWZOI-UHFFFAOYSA-N |