N-{4-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-2,5-dimethoxyphenyl}benzamide
Chemical Structure Depiction of
N-{4-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-2,5-dimethoxyphenyl}benzamide
N-{4-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-2,5-dimethoxyphenyl}benzamide
Compound characteristics
| Compound ID: | Y032-2069 |
| Compound Name: | N-{4-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]-2,5-dimethoxyphenyl}benzamide |
| Molecular Weight: | 446.46 |
| Molecular Formula: | C25 H22 N2 O6 |
| Smiles: | COc1cc(c(cc1NC(/C=C/c1ccc2c(c1)OCO2)=O)OC)NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5775 |
| logD: | 4.5537 |
| logSw: | -4.4323 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.188 |
| InChI Key: | VVZQLPQELVCVEY-UHFFFAOYSA-N |