3-(2H-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide
3-(2H-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide
Compound characteristics
| Compound ID: | 8020-8410 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide |
| Molecular Weight: | 461.45 |
| Molecular Formula: | C26 H20 F N O6 |
| Smiles: | C(C(C1=C(c2ccccc2OC1=O)O)c1ccc2c(c1)OCO2)C(NCc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3464 |
| logD: | 0.8274 |
| logSw: | -3.659 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.275 |
| InChI Key: | OHBDEXPODKUFEC-IBGZPJMESA-N |