ethyl 4-{4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[(pyridine-3-carbonyl)amino]benzamido}piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[(pyridine-3-carbonyl)amino]benzamido}piperidine-1-carboxylate
ethyl 4-{4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[(pyridine-3-carbonyl)amino]benzamido}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | K623-0203 |
| Compound Name: | ethyl 4-{4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[(pyridine-3-carbonyl)amino]benzamido}piperidine-1-carboxylate |
| Molecular Weight: | 584.68 |
| Molecular Formula: | C32 H36 N6 O5 |
| Smiles: | CCOC(N1CCC(CC1)NC(c1ccc(c(c1)NC(c1cccnc1)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1064 |
| logD: | 2.7913 |
| logSw: | -3.2335 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.919 |
| InChI Key: | NICSOYPXNMXZQL-UHFFFAOYSA-N |