3-(4-tert-butylbenzamido)-N-[(3-chlorophenyl)methyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Chemical Structure Depiction of
3-(4-tert-butylbenzamido)-N-[(3-chlorophenyl)methyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-(4-tert-butylbenzamido)-N-[(3-chlorophenyl)methyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | K781-0391 |
| Compound Name: | 3-(4-tert-butylbenzamido)-N-[(3-chlorophenyl)methyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 609.17 |
| Molecular Formula: | C36 H37 Cl N4 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(NCc1cccc(c1)[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.4002 |
| logD: | 7.1924 |
| logSw: | -6.3472 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.896 |
| InChI Key: | CAZDGJVSDAPZMS-UHFFFAOYSA-N |