3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
Chemical Structure Depiction of
3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
Compound characteristics
| Compound ID: | 8020-8584 |
| Compound Name: | 3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide |
| Molecular Weight: | 533.53 |
| Molecular Formula: | C29 H27 N O9 |
| Smiles: | COc1cc(C(CC(NCCc2ccc(cc2)O)=O)C2=C(c3ccccc3OC2=O)O)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.07 |
| logD: | -0.4491 |
| logSw: | -3.2036 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.45 |
| InChI Key: | IPXCBOITZSPTCD-IBGZPJMESA-N |