1-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)methanimine
1-(2,5-dimethoxyphenyl)-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: | Y503-4085 |
| Compound Name: | 1-(2,5-dimethoxyphenyl)-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: | 431.47 |
| Molecular Formula: | C18 H21 N7 O4 S |
| Smiles: | Cc1c(c(C)n(CSc2nnc(C)n2/N=C/c2cc(ccc2OC)OC)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0804 |
| logD: | 2.0749 |
| logSw: | -2.5985 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 97.018 |
| InChI Key: | XSOVWRVUCQUVAI-UHFFFAOYSA-N |