N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-1-(5-methylthiophen-2-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-(5-methylthiophen-2-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-(5-methylthiophen-2-yl)methanimine
Compound characteristics
| Compound ID: | Y503-4049 |
| 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-(5-methylthiophen-2-yl)methanimine |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C15 H17 N7 O2 S2 |
| Smiles: | Cc1c(c(C)n(CSc2nnc(C)n2/N=C/c2ccc(C)s2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2688 |
| logD: | 2.2679 |
| logSw: | -2.3933 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.862 |
| InChI Key: | VNANFSYOSFVZFT-UHFFFAOYSA-N |