N-benzyl-2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-benzyl-2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-benzyl-2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-3003 |
| Compound Name: | N-benzyl-2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 451.98 |
| Molecular Formula: | C23 H22 Cl N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1c1ccc(cc1)[Cl])SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1116 |
| logD: | 4.1116 |
| logSw: | -4.5719 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.058 |
| InChI Key: | JCUPOCQWCVAVCW-UHFFFAOYSA-N |