methyl 2-(2-cyano-3-{3-ethoxy-4-[(4-methoxybenzoyl)oxy]phenyl}prop-2-enamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-cyano-3-{3-ethoxy-4-[(4-methoxybenzoyl)oxy]phenyl}prop-2-enamido)benzoate
methyl 2-(2-cyano-3-{3-ethoxy-4-[(4-methoxybenzoyl)oxy]phenyl}prop-2-enamido)benzoate
Compound characteristics
| Compound ID: | 8013-9654 |
| Compound Name: | methyl 2-(2-cyano-3-{3-ethoxy-4-[(4-methoxybenzoyl)oxy]phenyl}prop-2-enamido)benzoate |
| Molecular Weight: | 500.51 |
| Molecular Formula: | C28 H24 N2 O7 |
| Smiles: | CCOc1cc(\C=C(/C#N)C(Nc2ccccc2C(=O)OC)=O)ccc1OC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6597 |
| logD: | 3.2718 |
| logSw: | -4.4493 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.08 |
| InChI Key: | VQRUVENFEPAIRU-UHFFFAOYSA-N |