3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide
Chemical Structure Depiction of
3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide
3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide
Compound characteristics
| Compound ID: | 8020-8620 |
| Compound Name: | 3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide |
| Molecular Weight: | 503.51 |
| Molecular Formula: | C28 H25 N O8 |
| Smiles: | COc1cc(cc2c1OCO2)C(CC(NCCc1ccc(cc1)O)=O)C1=C(c2ccccc2OC1=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3899 |
| logD: | -0.1291 |
| logSw: | -3.2832 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.048 |
| InChI Key: | PQDZDZCNJQJURD-FQEVSTJZSA-N |