ethyl N-{4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]benzoyl}-beta-alaninate
Chemical Structure Depiction of
ethyl N-{4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]benzoyl}-beta-alaninate
ethyl N-{4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]benzoyl}-beta-alaninate
Compound characteristics
| Compound ID: | V007-8405 |
| Compound Name: | ethyl N-{4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]benzoyl}-beta-alaninate |
| Molecular Weight: | 432.3 |
| Molecular Formula: | C21 H19 Cl2 N3 O3 |
| Salt: | not_available |
| Smiles: | CCOC(CCNC(c1ccc(cc1)c1cc(c2ccc(cc2[Cl])[Cl])n[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5173 |
| logD: | 4.5173 |
| logSw: | -4.6766 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.142 |
| InChI Key: | HJDSSXDUHXJJIA-UHFFFAOYSA-N |