1-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}-N-(4H-1,2,4-triazol-4-yl)methanimine
Chemical Structure Depiction of
1-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}-N-(4H-1,2,4-triazol-4-yl)methanimine
1-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}-N-(4H-1,2,4-triazol-4-yl)methanimine
Compound characteristics
| Compound ID: | 8008-8534 |
| Compound Name: | 1-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}-N-(4H-1,2,4-triazol-4-yl)methanimine |
| Molecular Weight: | 329.34 |
| Molecular Formula: | C13 H11 N7 O2 S |
| Smiles: | Cn1ccnc1Sc1ccc(/C=N/n2cnnc2)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.3122 |
| logD: | 1.309 |
| logSw: | -2.2418 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.934 |
| InChI Key: | NRCBFBRJDFHAPP-UHFFFAOYSA-N |