6-bromo-3-[3-(2-chloro-7-ethoxyquinolin-3-yl)prop-2-enoyl]-4-phenylquinolin-2(1H)-one
Chemical Structure Depiction of
6-bromo-3-[3-(2-chloro-7-ethoxyquinolin-3-yl)prop-2-enoyl]-4-phenylquinolin-2(1H)-one
6-bromo-3-[3-(2-chloro-7-ethoxyquinolin-3-yl)prop-2-enoyl]-4-phenylquinolin-2(1H)-one
Compound characteristics
| Compound ID: | 0863-0214 |
| Compound Name: | 6-bromo-3-[3-(2-chloro-7-ethoxyquinolin-3-yl)prop-2-enoyl]-4-phenylquinolin-2(1H)-one |
| Molecular Weight: | 559.85 |
| Molecular Formula: | C29 H20 Br Cl N2 O3 |
| Smiles: | CCOc1ccc2cc(\C=C/C(C3=C(c4ccccc4)c4cc(ccc4NC3=O)[Br])=O)c(nc2c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.162 |
| logD: | 6.1478 |
| logSw: | -6.2847 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.912 |
| InChI Key: | BUXUOSFXEORXCU-UHFFFAOYSA-N |