ethyl 4-{3-[4-(diethylamino)benzamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido}piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{3-[4-(diethylamino)benzamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido}piperidine-1-carboxylate
ethyl 4-{3-[4-(diethylamino)benzamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | K623-0200 |
| Compound Name: | ethyl 4-{3-[4-(diethylamino)benzamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido}piperidine-1-carboxylate |
| Molecular Weight: | 654.81 |
| Molecular Formula: | C37 H46 N6 O5 |
| Smiles: | CCN(CC)c1ccc(cc1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(NC1CCN(CC1)C(=O)OCC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.105 |
| logD: | 4.8544 |
| logSw: | -4.9608 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.137 |
| InChI Key: | OADOYPVCRMFSGY-UHFFFAOYSA-N |