4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]benzamide
Chemical Structure Depiction of
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]benzamide
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]benzamide
Compound characteristics
| Compound ID: | Y502-2096 |
| Compound Name: | 4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]benzamide |
| Molecular Weight: | 478.89 |
| Molecular Formula: | C24 H19 Cl N4 O5 |
| Smiles: | COc1ccccc1Oc1cc(cc(c1)[N+]([O-])=O)NC(c1ccc(Cn2cc(cn2)[Cl])cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9326 |
| logD: | 4.9023 |
| logSw: | -5.2635 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.682 |
| InChI Key: | IIDQBTJFMZBANA-UHFFFAOYSA-N |