ethyl 4-hydroxy-5-[3-{[2-(4-hydroxyphenyl)ethyl]amino}-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-oxopropyl]-6-oxo-1,6-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 4-hydroxy-5-[3-{[2-(4-hydroxyphenyl)ethyl]amino}-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-oxopropyl]-6-oxo-1,6-dihydropyridine-3-carboxylate
ethyl 4-hydroxy-5-[3-{[2-(4-hydroxyphenyl)ethyl]amino}-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-oxopropyl]-6-oxo-1,6-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8020-8550 |
| Compound Name: | ethyl 4-hydroxy-5-[3-{[2-(4-hydroxyphenyl)ethyl]amino}-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-oxopropyl]-6-oxo-1,6-dihydropyridine-3-carboxylate |
| Molecular Weight: | 524.53 |
| Molecular Formula: | C27 H28 N2 O9 |
| Smiles: | CCOC(C1=CNC(C(C(CC(NCCc2ccc(cc2)O)=O)c2cc(c3c(c2)OCO3)OC)=C1O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2226 |
| logD: | -1.4553 |
| logSw: | -2.2736 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 126.647 |
| InChI Key: | KEJXJTJCYAGHEZ-SFHVURJKSA-N |