N-[3-(4-bromophenyl)-2-(3,4,5-trimethoxybenzamido)prop-2-enoyl]-beta-alanine
Chemical Structure Depiction of
N-[3-(4-bromophenyl)-2-(3,4,5-trimethoxybenzamido)prop-2-enoyl]-beta-alanine
N-[3-(4-bromophenyl)-2-(3,4,5-trimethoxybenzamido)prop-2-enoyl]-beta-alanine
Compound characteristics
| Compound ID: | 2509-0033 |
| Compound Name: | N-[3-(4-bromophenyl)-2-(3,4,5-trimethoxybenzamido)prop-2-enoyl]-beta-alanine |
| Molecular Weight: | 507.34 |
| Molecular Formula: | C22 H23 Br N2 O7 |
| Smiles: | COc1cc(cc(c1OC)OC)C(NC(=C\c1ccc(cc1)[Br])\C(NCCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0237 |
| logD: | -0.672 |
| logSw: | -2.8268 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.051 |
| InChI Key: | TYSBMPOGXLMVQG-MHWRWJLKSA-N |