4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]benzamide
Chemical Structure Depiction of
4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]benzamide
4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]benzamide
Compound characteristics
| Compound ID: | Y502-9850 |
| Compound Name: | 4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]benzamide |
| Molecular Weight: | 458.9 |
| Molecular Formula: | C22 H23 Cl N4 O5 |
| Smiles: | CCOc1ccc(CNC(c2ccc(Cn3cc(c(n3)[N+]([O-])=O)[Cl])cc2)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.9756 |
| logD: | 2.9756 |
| logSw: | -3.6461 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.669 |
| InChI Key: | OCWBHQUEJMCBMS-UHFFFAOYSA-N |