N-[2-(3,4-dimethoxyphenyl)ethyl]-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-[2-(3,4-dimethoxyphenyl)ethyl]-2-({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-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: | 8017-9601 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 537.6 |
| Molecular Formula: | C25 H27 N7 O5 S |
| Smiles: | Cc1ncc([N+]([O-])=O)n1Cc1nnc(n1c1ccccc1)SCC(NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4291 |
| logD: | 1.4281 |
| logSw: | -2.5353 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.984 |
| InChI Key: | PLYKUVHFDGVXPU-UHFFFAOYSA-N |