N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide
Compound characteristics
| Compound ID: | 8020-8440 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(3-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide |
| Molecular Weight: | 489.48 |
| Molecular Formula: | C27 H23 N O8 |
| Smiles: | COc1ccc(cc1O)C(CC(NCc1ccc2c(c1)OCO2)=O)C1=C(c2ccccc2OC1=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6781 |
| logD: | 0.159 |
| logSw: | -3.1902 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.454 |
| InChI Key: | NILGZPYBEPMKHH-SFHVURJKSA-N |