N-[3-(4-fluorophenyl)-2-(3,4,5-trimethoxybenzamido)prop-2-enoyl]-beta-alanine
Chemical Structure Depiction of
N-[3-(4-fluorophenyl)-2-(3,4,5-trimethoxybenzamido)prop-2-enoyl]-beta-alanine
N-[3-(4-fluorophenyl)-2-(3,4,5-trimethoxybenzamido)prop-2-enoyl]-beta-alanine
Compound characteristics
| Compound ID: | 2509-0054 |
| Compound Name: | N-[3-(4-fluorophenyl)-2-(3,4,5-trimethoxybenzamido)prop-2-enoyl]-beta-alanine |
| Molecular Weight: | 446.43 |
| Molecular Formula: | C22 H23 F N2 O7 |
| Smiles: | COc1cc(cc(c1OC)OC)C(NC(=C\c1ccc(cc1)F)\C(NCCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2189 |
| logD: | -1.4768 |
| logSw: | -2.1719 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.051 |
| InChI Key: | SFEZARGUJDRGJA-UHFFFAOYSA-N |