3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2H-1,3-benzodioxol-5-yl)amino]-1-(4-methylphenyl)-2-oxoethyl}prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2H-1,3-benzodioxol-5-yl)amino]-1-(4-methylphenyl)-2-oxoethyl}prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2H-1,3-benzodioxol-5-yl)amino]-1-(4-methylphenyl)-2-oxoethyl}prop-2-enamide
Compound characteristics
| Compound ID: | C094-0228 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-{2-[(2H-1,3-benzodioxol-5-yl)amino]-1-(4-methylphenyl)-2-oxoethyl}prop-2-enamide |
| Molecular Weight: | 458.47 |
| Molecular Formula: | C26 H22 N2 O6 |
| Smiles: | Cc1ccc(cc1)C(C(Nc1ccc2c(c1)OCO2)=O)NC(/C=C\c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5081 |
| logD: | 4.508 |
| logSw: | -4.3796 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.113 |
| InChI Key: | BSEWAUSLBYUWKC-RUZDIDTESA-N |