N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-1-(4-ethoxyphenyl)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-ethoxyphenyl)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-ethoxyphenyl)methanimine
Compound characteristics
| Compound ID: | Y503-4081 |
| 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-ethoxyphenyl)methanimine |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C18 H21 N7 O3 S |
| Smiles: | CCOc1ccc(/C=N/n2c(C)nnc2SCn2c(C)c(c(C)n2)[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0015 |
| logD: | 2.0004 |
| logSw: | -2.3809 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 88.967 |
| InChI Key: | REMTXVODHYAEOB-UHFFFAOYSA-N |