3-(2H-1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-1335 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide |
| Molecular Weight: | 361.78 |
| Molecular Formula: | C18 H16 Cl N O5 |
| Smiles: | COc1cc(c(cc1NC(/C=C/c1ccc2c(c1)OCO2)=O)OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2896 |
| logD: | 4.2525 |
| logSw: | -4.5353 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.795 |
| InChI Key: | FPSSOHWUQPJFNA-UHFFFAOYSA-N |