ethyl 4-[3-(2-chlorobenzamido)-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-(2-chlorobenzamido)-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-(2-chlorobenzamido)-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: | K781-1692 |
| Compound Name: | ethyl 4-[3-(2-chlorobenzamido)-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: | 618.13 |
| Molecular Formula: | C33 H36 Cl N5 O5 |
| Smiles: | CCOC(N1CCC(CC1)NC(c1ccc(c(c1)NC(c1ccccc1[Cl])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7496 |
| logD: | 4.0304 |
| logSw: | -4.7894 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.401 |
| InChI Key: | XJEBGFFEYBPVAE-UHFFFAOYSA-N |