3-(2H-1,3-benzodioxol-5-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide
3-(2H-1,3-benzodioxol-5-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide
Compound characteristics
| Compound ID: | 8020-8478 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide |
| Molecular Weight: | 517.54 |
| Molecular Formula: | C29 H27 N O8 |
| Smiles: | CCOc1cc(CNC(CC(C2=C(c3ccccc3OC2=O)O)c2ccc3c(c2)OCO3)=O)ccc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0779 |
| logD: | 0.5589 |
| logSw: | -3.3969 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.116 |
| InChI Key: | IEDXXNDFIUTHII-FQEVSTJZSA-N |