methyl 1-{4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]benzoyl}piperidine-4-carboxylate
Chemical Structure Depiction of
methyl 1-{4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]benzoyl}piperidine-4-carboxylate
methyl 1-{4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]benzoyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V001-6601 |
| Compound Name: | methyl 1-{4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]benzoyl}piperidine-4-carboxylate |
| Molecular Weight: | 458.34 |
| Molecular Formula: | C23 H21 Cl2 N3 O3 |
| Salt: | not_available |
| Smiles: | COC(C1CCN(CC1)C(c1ccc(cc1)c1cc(c2ccc(cc2[Cl])[Cl])n[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6445 |
| logD: | 4.6445 |
| logSw: | -4.9199 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.279 |
| InChI Key: | MOMMQPHHNGMBLV-UHFFFAOYSA-N |