ethyl 4-[3-(4-tert-butylbenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(4-tert-butylbenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoyl]piperazine-1-carboxylate
ethyl 4-[3-(4-tert-butylbenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K781-1742 |
| Compound Name: | ethyl 4-[3-(4-tert-butylbenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzoyl]piperazine-1-carboxylate |
| Molecular Weight: | 625.77 |
| Molecular Formula: | C36 H43 N5 O5 |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc(c(c1)NC(c1ccc(cc1)C(C)(C)C)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5717 |
| logD: | 5.5237 |
| logSw: | -5.3457 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.911 |
| InChI Key: | VEZQKSLREBSUOS-UHFFFAOYSA-N |