3-(4,7-dimethoxy-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-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide
3-(4,7-dimethoxy-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: | 8020-8446 |
| Compound Name: | 3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide |
| Molecular Weight: | 521.5 |
| Molecular Formula: | C28 H24 F N O8 |
| Smiles: | COc1cc(C(CC(NCc2ccc(cc2)F)=O)C2=C(c3ccccc3OC2=O)O)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9441 |
| logD: | 0.425 |
| logSw: | -3.462 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.991 |
| InChI Key: | TYUXYDBRLVTXLB-SFHVURJKSA-N |