4-bromo-N-{5-[4-(4-nitrophenyl)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-(4-nitrophenyl)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-(4-nitrophenyl)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: | K622-0243 |
| Compound Name: | 4-bromo-N-{5-[4-(4-nitrophenyl)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: | 733.64 |
| Molecular Formula: | C34 H33 Br N6 O6 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NS(c1ccc(cc1)[Br])(=O)=O)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4917 |
| logD: | 3.6956 |
| logSw: | -5.7618 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.331 |
| InChI Key: | UEFUJOAACLALDV-UHFFFAOYSA-N |