N-(3-bromo-4-methylphenyl)-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-(3-bromo-4-methylphenyl)-2-({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(3-bromo-4-methylphenyl)-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: | 8017-0240 |
| Compound Name: | N-(3-bromo-4-methylphenyl)-2-({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 480.34 |
| Molecular Formula: | C17 H18 Br N7 O3 S |
| Smiles: | Cc1ccc(cc1[Br])NC(CSc1nnc(Cn2c(cnc2C)[N+]([O-])=O)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2095 |
| logD: | 2.1846 |
| logSw: | -2.6716 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.898 |
| InChI Key: | RJSBEIFBCNTVMB-UHFFFAOYSA-N |