diethyl 2,6-bis[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
diethyl 2,6-bis[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
diethyl 2,6-bis[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 8020-3364 |
| Compound Name: | diethyl 2,6-bis[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)methyl]-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 705.86 |
| Molecular Formula: | C41 H47 N5 O6 |
| Smiles: | CCOC(C1C(C(=C(CN2CC3CC(C2)C2=CC=CC(N2C3)=O)NC=1CN1CC2CC(C1)C1=CC=CC(N1C2)=O)C(=O)OCC)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9779 |
| logD: | 4.9779 |
| logSw: | -4.518 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.938 |
| InChI Key: | REVLNVASBNRPMS-UHFFFAOYSA-N |