4-bromo-N-{5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-bromo-N-{5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}benzene-1-sulfonamide
4-bromo-N-{5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | K622-0035 |
| Compound Name: | 4-bromo-N-{5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl}benzene-1-sulfonamide |
| Molecular Weight: | 723.09 |
| Molecular Formula: | C34 H33 Br Cl N5 O4 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NS(c1ccc(cc1)[Br])(=O)=O)C(N1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0281 |
| logD: | 4.232 |
| logSw: | -6.2986 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.949 |
| InChI Key: | OHLIEJHGOBGGRG-UHFFFAOYSA-N |