3-(2H-1,3-benzodioxol-5-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide
3-(2H-1,3-benzodioxol-5-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide
Compound characteristics
| Compound ID: | 8020-8580 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide |
| Molecular Weight: | 545.59 |
| Molecular Formula: | C31 H31 N O8 |
| Smiles: | CCOc1ccc(CCNC(CC(C2=C(c3ccccc3OC2=O)O)c2ccc3c(c2)OCO3)=O)cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1004 |
| logD: | 0.5814 |
| logSw: | -3.4442 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.537 |
| InChI Key: | CMXRZKQPGBDRLL-QFIPXVFZSA-N |