4-bromo-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenylpiperazine-1-carbonyl)phenyl]benzene-1-sulfonamide
Chemical Structure Depiction of
4-bromo-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenylpiperazine-1-carbonyl)phenyl]benzene-1-sulfonamide
4-bromo-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenylpiperazine-1-carbonyl)phenyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | K622-0283 |
| Compound Name: | 4-bromo-N-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(4-phenylpiperazine-1-carbonyl)phenyl]benzene-1-sulfonamide |
| Molecular Weight: | 688.64 |
| Molecular Formula: | C34 H34 Br N5 O4 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NS(c1ccc(cc1)[Br])(=O)=O)C(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4445 |
| logD: | 3.6484 |
| logSw: | -5.8229 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.949 |
| InChI Key: | MJGBDLXQPUIADZ-UHFFFAOYSA-N |