N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C226-4212 |
| Compound Name: | N-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C19 H22 N6 O3 S |
| Smiles: | Cc1ccc(Cn2c(C)c(c(C)n2)NC(CSc2c(c(C)n[nH]2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2557 |
| logD: | 2.2451 |
| logSw: | -2.6889 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.252 |
| InChI Key: | GHFDBDDJWOLVQF-UHFFFAOYSA-N |