N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide
Chemical Structure Depiction of
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide
Compound characteristics
| Compound ID: | 8020-8443 |
| Compound Name: | N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide |
| Molecular Weight: | 547.56 |
| Molecular Formula: | C30 H29 N O9 |
| Smiles: | CCOc1cc(CNC(CC(C2=C(c3ccccc3OC2=O)O)c2cc(c3c(c2)OCO3)OC)=O)ccc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9955 |
| logD: | 0.4765 |
| logSw: | -3.3974 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.43 |
| InChI Key: | UXYZALGQFQCOAA-FQEVSTJZSA-N |