N-[(2-chlorophenyl)methyl]-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-[(2-chlorophenyl)methyl]-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-2742 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 451.98 |
| Molecular Formula: | C23 H22 Cl N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1c1ccccc1)SCC(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1773 |
| logD: | 4.1773 |
| logSw: | -4.3716 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.058 |
| InChI Key: | CUXPHMLLXLJTDY-UHFFFAOYSA-N |