N-(3-chloro-2-methylphenyl)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-(3-chloro-2-methylphenyl)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y508-0808 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 398.85 |
| Molecular Formula: | C20 H19 Cl N4 O3 |
| Smiles: | Cc1c(cccc1[Cl])NC(c1ccc(Cn2c(C)c(c(C)n2)[N+]([O-])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9147 |
| logD: | 3.9037 |
| logSw: | -4.2805 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.693 |
| InChI Key: | MQCZYGRPOKPHBI-UHFFFAOYSA-N |