3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-(4-methylphenyl)-2-oxoethyl}prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-(4-methylphenyl)-2-oxoethyl}prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-(4-methylphenyl)-2-oxoethyl}prop-2-enamide
Compound characteristics
| Compound ID: | C094-0227 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-(4-methylphenyl)-2-oxoethyl}prop-2-enamide |
| Molecular Weight: | 472.5 |
| Molecular Formula: | C27 H24 N2 O6 |
| Smiles: | Cc1ccc(cc1)C(C(Nc1ccc2c(c1)OCCO2)=O)NC(/C=C\c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6476 |
| logD: | 3.6475 |
| logSw: | -3.7212 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.82 |
| InChI Key: | VYFRVIWNVCKULY-AREMUKBSSA-N |