N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide
Compound characteristics
| Compound ID: | 8020-8441 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide |
| Molecular Weight: | 517.49 |
| Molecular Formula: | C28 H23 N O9 |
| Smiles: | COc1cc(cc2c1OCO2)C(CC(NCc1ccc2c(c1)OCO2)=O)C1=C(c2ccccc2OC1=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1481 |
| logD: | 0.629 |
| logSw: | -3.4902 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.705 |
| InChI Key: | JZVFTAWGDYCWKJ-SFHVURJKSA-N |