N-[2-(2-chlorobenzamido)-3-(4-methoxyphenyl)prop-2-enoyl]-beta-alanine
Chemical Structure Depiction of
N-[2-(2-chlorobenzamido)-3-(4-methoxyphenyl)prop-2-enoyl]-beta-alanine
N-[2-(2-chlorobenzamido)-3-(4-methoxyphenyl)prop-2-enoyl]-beta-alanine
Compound characteristics
| Compound ID: | 3379-2995 |
| Compound Name: | N-[2-(2-chlorobenzamido)-3-(4-methoxyphenyl)prop-2-enoyl]-beta-alanine |
| Molecular Weight: | 402.83 |
| Molecular Formula: | C20 H19 Cl N2 O5 |
| Smiles: | COc1ccc(\C=C(/C(NCCC(O)=O)=O)NC(c2ccccc2[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.8465 |
| logD: | -0.8491 |
| logSw: | -2.7843 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.617 |
| InChI Key: | YWAYESOOCVZRHQ-UHFFFAOYSA-N |