2-({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of
2-({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
2-({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | 8016-9264 |
| Compound Name: | 2-({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 471.42 |
| Molecular Formula: | C17 H16 F3 N7 O4 S |
| Smiles: | Cc1ncc([N+]([O-])=O)n1Cc1nnc(n1C)SCC(Nc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3087 |
| logD: | 2.284 |
| logSw: | -2.695 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.835 |
| InChI Key: | KPGNOFUPSIWUGP-UHFFFAOYSA-N |