N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-1-(4-nitrophenyl)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-(4-nitrophenyl)methanimine
N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-1-(4-nitrophenyl)methanimine
Compound characteristics
| Compound ID: | Y503-4044 |
| 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-(4-nitrophenyl)methanimine |
| Molecular Weight: | 416.42 |
| Molecular Formula: | C16 H16 N8 O4 S |
| Smiles: | Cc1c(c(C)n(CSc2nnc(C)n2/N=C/c2ccc(cc2)[N+]([O-])=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5582 |
| logD: | 1.5573 |
| logSw: | -2.1589 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 115.225 |
| InChI Key: | FYVSAYYAFFGDKP-UHFFFAOYSA-N |