N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-1-(1,5-dimethyl-1H-pyrazol-4-yl)methanimine
Chemical Structure Depiction of
N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-1-(1,5-dimethyl-1H-pyrazol-4-yl)methanimine
N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-1-(1,5-dimethyl-1H-pyrazol-4-yl)methanimine
Compound characteristics
| Compound ID: | Y503-3338 |
| Compound Name: | N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-1-(1,5-dimethyl-1H-pyrazol-4-yl)methanimine |
| Molecular Weight: | 389.44 |
| Molecular Formula: | C15 H19 N9 O2 S |
| Smiles: | Cc1c(c(C)n(CSc2nnc(C)n2/N=C/c2cnn(C)c2C)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.3305 |
| logD: | 0.3171 |
| logSw: | -1.2769 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 96.33 |
| InChI Key: | XPBBKQMMWFASCP-UHFFFAOYSA-N |