dimethyl 5-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzamido}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzamido}benzene-1,3-dicarboxylate
dimethyl 5-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzamido}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 6228-1086 |
| Compound Name: | dimethyl 5-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzamido}benzene-1,3-dicarboxylate |
| Molecular Weight: | 427.84 |
| Molecular Formula: | C21 H18 Cl N3 O5 |
| Smiles: | COC(c1cc(cc(c1)NC(c1ccc(Cn2cc(cn2)[Cl])cc1)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7792 |
| logD: | 3.778 |
| logSw: | -4.3294 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.183 |
| InChI Key: | ITJOFQQPVLMTNV-UHFFFAOYSA-N |