3-(2H-1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide
3-(2H-1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide
Compound characteristics
| Compound ID: | 8020-8587 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide |
| Molecular Weight: | 475.47 |
| Molecular Formula: | C27 H22 F N O6 |
| Smiles: | C(CNC(CC(C1=C(c2ccccc2OC1=O)O)c1ccc2c(c1)OCO2)=O)c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1211 |
| logD: | 0.6021 |
| logSw: | -3.54 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.117 |
| InChI Key: | MCLWFPZVRAZBBB-FQEVSTJZSA-N |