3-[(4-chlorophenyl)carbamamido]-N-[2-(4-chlorophenyl)ethyl]-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-chlorophenyl)carbamamido]-N-[2-(4-chlorophenyl)ethyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-[(4-chlorophenyl)carbamamido]-N-[2-(4-chlorophenyl)ethyl]-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: | K784-8689 |
| Compound Name: | 3-[(4-chlorophenyl)carbamamido]-N-[2-(4-chlorophenyl)ethyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 616.55 |
| Molecular Formula: | C33 H31 Cl2 N5 O3 |
| Smiles: | C(CNC(c1ccc(c(c1)NC(Nc1ccc(cc1)[Cl])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4846 |
| logD: | 6.4838 |
| logSw: | -6.5097 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.949 |
| InChI Key: | CJNMDDKSIYADNS-UHFFFAOYSA-N |