N-(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)-1-{5-[(3,5-dimethylphenoxy)methyl]furan-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-[(3,5-dimethylphenoxy)methyl]furan-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-[(3,5-dimethylphenoxy)methyl]furan-2-yl}methanimine
Compound characteristics
| Compound ID: | Y503-4100 |
| 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-[(3,5-dimethylphenoxy)methyl]furan-2-yl}methanimine |
| Molecular Weight: | 495.56 |
| Molecular Formula: | C23 H25 N7 O4 S |
| Smiles: | Cc1cc(C)cc(c1)OCc1ccc(/C=N/n2c(C)nnc2SCn2c(C)c(c(C)n2)[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.7618 |
| logD: | 3.7611 |
| logSw: | -4.1299 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 96.083 |
| InChI Key: | GQRVZXUEPXHVGG-UHFFFAOYSA-N |