ethyl 5-[3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1,6-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1,6-dihydropyridine-3-carboxylate
ethyl 5-[3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1,6-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8020-8516 |
| Compound Name: | ethyl 5-[3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3-oxopropyl]-4-hydroxy-6-oxo-1,6-dihydropyridine-3-carboxylate |
| Molecular Weight: | 538.51 |
| Molecular Formula: | C27 H26 N2 O10 |
| Smiles: | CCOC(C1=CNC(C(C(CC(NCc2ccc3c(c2)OCO3)=O)c2cc(c3c(c2)OCO3)OC)=C1O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9807 |
| logD: | -0.6972 |
| logSw: | -2.8176 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 126.304 |
| InChI Key: | PHKRNLNFRVWNHQ-INIZCTEOSA-N |