1-[4-(benzyloxy)phenyl]-N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)methanimine
Chemical Structure Depiction of
1-[4-(benzyloxy)phenyl]-N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)methanimine
1-[4-(benzyloxy)phenyl]-N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)methanimine
Compound characteristics
| Compound ID: | Y503-4037 |
| Compound Name: | 1-[4-(benzyloxy)phenyl]-N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)methanimine |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C23 H23 N7 O3 S |
| Smiles: | Cc1c(c(C)n(CSc2nnc(C)n2/N=C/c2ccc(cc2)OCc2ccccc2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0469 |
| logD: | 3.0458 |
| logSw: | -3.3357 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 89.071 |
| InChI Key: | PEHRBCXRFQKWHE-UHFFFAOYSA-N |