N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide
Compound characteristics
| Compound ID: | 8020-8607 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide |
| Molecular Weight: | 539.58 |
| Molecular Formula: | C29 H33 N O9 |
| Smiles: | CCOc1ccc(CCNC(CC(C2=C(C=C(C)OC2=O)O)c2cc(c3c(c2)OCO3)OC)=O)cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4447 |
| logD: | -0.547 |
| logSw: | -3.0362 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.763 |
| InChI Key: | LHMRZJBJXOQFET-FQEVSTJZSA-N |