N-(2-chlorophenyl)-2-({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-2-({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(2-chlorophenyl)-2-({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8016-9297 |
| Compound Name: | N-(2-chlorophenyl)-2-({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 421.86 |
| Molecular Formula: | C16 H16 Cl N7 O3 S |
| Smiles: | Cc1ncc([N+]([O-])=O)n1Cc1nnc(n1C)SCC(Nc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1682 |
| logD: | 1.1434 |
| logSw: | -2.5298 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.2 |
| InChI Key: | USYVJQUBECXIGN-UHFFFAOYSA-N |