methyl 4-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]benzoate
methyl 4-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]benzoate
Compound characteristics
| Compound ID: | 3379-2077 |
| Compound Name: | methyl 4-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]benzoate |
| Molecular Weight: | 444.44 |
| Molecular Formula: | C25 H20 N2 O6 |
| Smiles: | COC(c1ccc(cc1)NC(/C(=C\c1ccc2c(c1)OCO2)NC(c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1577 |
| logD: | 4.0979 |
| logSw: | -4.398 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.544 |
| InChI Key: | HRJFIRGBPYILHM-UHFFFAOYSA-N |