methyl 2-(3-{4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-2-cyanoprop-2-enamido)benzoate
Chemical Structure Depiction of
methyl 2-(3-{4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-2-cyanoprop-2-enamido)benzoate
methyl 2-(3-{4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-2-cyanoprop-2-enamido)benzoate
Compound characteristics
| Compound ID: | 8013-9644 |
| Compound Name: | methyl 2-(3-{4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-2-cyanoprop-2-enamido)benzoate |
| Molecular Weight: | 490.94 |
| Molecular Formula: | C27 H23 Cl N2 O5 |
| Smiles: | CCOc1cc(\C=C(/C#N)C(Nc2ccccc2C(=O)OC)=O)ccc1OCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2308 |
| logD: | 3.8428 |
| logSw: | -5.6069 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.386 |
| InChI Key: | PSIHFUMLLWXROT-UHFFFAOYSA-N |