1-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-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-chloro-1-ethyl-1H-pyrazol-3-yl)-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-chloro-1-ethyl-1H-pyrazol-3-yl)-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: | Y503-4105 |
| Compound Name: | 1-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-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: | 423.88 |
| Molecular Formula: | C15 H18 Cl N9 O2 S |
| Smiles: | CCn1cc(c(/C=N/n2c(C)nnc2SCn2c(C)c(c(C)n2)[N+]([O-])=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.517 |
| logD: | 1.5158 |
| logSw: | -2.4861 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 97.387 |
| InChI Key: | ZUGNGDXWURMZCI-UHFFFAOYSA-N |