methyl 4-[3-(2H-1,3-benzodioxol-5-yl)-2-(3,4-dimethylbenzamido)prop-2-enamido]benzoate
Chemical Structure Depiction of
methyl 4-[3-(2H-1,3-benzodioxol-5-yl)-2-(3,4-dimethylbenzamido)prop-2-enamido]benzoate
methyl 4-[3-(2H-1,3-benzodioxol-5-yl)-2-(3,4-dimethylbenzamido)prop-2-enamido]benzoate
Compound characteristics
| Compound ID: | 2447-2647 |
| Compound Name: | methyl 4-[3-(2H-1,3-benzodioxol-5-yl)-2-(3,4-dimethylbenzamido)prop-2-enamido]benzoate |
| Molecular Weight: | 472.5 |
| Molecular Formula: | C27 H24 N2 O6 |
| Smiles: | Cc1ccc(cc1C)C(NC(=C/c1ccc2c(c1)OCO2)\C(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2487 |
| logD: | 5.0336 |
| logSw: | -5.143 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.544 |
| InChI Key: | VXURMNZUDIZJDS-UHFFFAOYSA-N |