N-(3-acetylphenyl)-3-(2-chlorobenzamido)-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
N-(3-acetylphenyl)-3-(2-chlorobenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
N-(3-acetylphenyl)-3-(2-chlorobenzamido)-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: | K781-1739 |
| Compound Name: | N-(3-acetylphenyl)-3-(2-chlorobenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 581.07 |
| Molecular Formula: | C33 H29 Cl N4 O4 |
| Smiles: | CC(c1cccc(c1)NC(c1ccc(c(c1)NC(c1ccccc1[Cl])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4385 |
| logD: | 4.1498 |
| logSw: | -5.7033 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.4 |
| InChI Key: | WTMGPGXFGATQSW-UHFFFAOYSA-N |