N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-1-[3-(ethoxymethyl)-4-methoxyphenyl]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-[3-(ethoxymethyl)-4-methoxyphenyl]methanimine
N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-1-[3-(ethoxymethyl)-4-methoxyphenyl]methanimine
Compound characteristics
| Compound ID: | Y503-4087 |
| 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-[3-(ethoxymethyl)-4-methoxyphenyl]methanimine |
| Molecular Weight: | 459.53 |
| Molecular Formula: | C20 H25 N7 O4 S |
| Smiles: | CCOCc1cc(/C=N/n2c(C)nnc2SCn2c(C)c(c(C)n2)[N+]([O-])=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.9375 |
| logD: | 1.9366 |
| logSw: | -2.4067 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 97.533 |
| InChI Key: | MZNDEVPURLWSDE-UHFFFAOYSA-N |