4-tert-butyl-N-[5-(2-ethylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]benzamide
Chemical Structure Depiction of
4-tert-butyl-N-[5-(2-ethylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]benzamide
4-tert-butyl-N-[5-(2-ethylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | K781-0963 |
| Compound Name: | 4-tert-butyl-N-[5-(2-ethylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]benzamide |
| Molecular Weight: | 580.77 |
| Molecular Formula: | C36 H44 N4 O3 |
| Smiles: | CCC1CCCCN1C(c1ccc(c(c1)NC(c1ccc(cc1)C(C)(C)C)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9452 |
| logD: | 6.8971 |
| logSw: | -5.5803 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.777 |
| InChI Key: | MMWQTZACJZDKQP-UHFFFAOYSA-N |