N-(2H-1,3-benzodioxol-5-yl)-2-({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8018-0037 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 493.5 |
| Molecular Formula: | C22 H19 N7 O5 S |
| Smiles: | Cc1ncc([N+]([O-])=O)n1Cc1nnc(n1c1ccccc1)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2891 |
| logD: | 2.288 |
| logSw: | -2.8071 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.675 |
| InChI Key: | FPGLEWSUXTYYHM-UHFFFAOYSA-N |