N-[5-(4-benzylpiperazine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-4-tert-butylbenzamide
Chemical Structure Depiction of
N-[5-(4-benzylpiperazine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-4-tert-butylbenzamide
N-[5-(4-benzylpiperazine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-4-tert-butylbenzamide
Compound characteristics
| Compound ID: | K781-0863 |
| Compound Name: | N-[5-(4-benzylpiperazine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-4-tert-butylbenzamide |
| Molecular Weight: | 643.83 |
| Molecular Formula: | C40 H45 N5 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(N1CCN(CC1)Cc1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3503 |
| logD: | 6.2868 |
| logSw: | -5.4981 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.671 |
| InChI Key: | KLDNCGYMSHXBNQ-UHFFFAOYSA-N |