ethyl N-{4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzoyl}-beta-alaninate
Chemical Structure Depiction of
ethyl N-{4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzoyl}-beta-alaninate
ethyl N-{4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzoyl}-beta-alaninate
Compound characteristics
| Compound ID: | V004-7795 |
| Compound Name: | ethyl N-{4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzoyl}-beta-alaninate |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C22 H23 N3 O4 |
| Salt: | not_available |
| Smiles: | CCOC(CCNC(c1ccc(cc1)c1cc(c2cccc(c2)OC)n[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4953 |
| logD: | 3.4953 |
| logSw: | -3.7229 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.686 |
| InChI Key: | BCTQYESDKOBBFB-UHFFFAOYSA-N |