N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-1-(5-ethylthiophen-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-ethylthiophen-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-ethylthiophen-2-yl)methanimine
Compound characteristics
| Compound ID: | Y503-4107 |
| 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-ethylthiophen-2-yl)methanimine |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C16 H19 N7 O2 S2 |
| Smiles: | CCc1ccc(/C=N/n2c(C)nnc2SCn2c(C)c(c(C)n2)[N+]([O-])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.6372 |
| logD: | 2.6355 |
| logSw: | -2.6681 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.862 |
| InChI Key: | MUFOEKRASQBKNJ-UHFFFAOYSA-N |