4-bromo-N-{5-[3-methyl-4-(3-methylphenyl)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-[3-methyl-4-(3-methylphenyl)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-[3-methyl-4-(3-methylphenyl)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: | K622-0323 |
| Compound Name: | 4-bromo-N-{5-[3-methyl-4-(3-methylphenyl)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: | 716.7 |
| Molecular Formula: | C36 H38 Br N5 O4 S |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(c1ccc(c(c1)NS(c1ccc(cc1)[Br])(=O)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3244 |
| logD: | 4.5283 |
| logSw: | -5.4249 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.168 |
| InChI Key: | VWKSNIJCBMOBPP-UHFFFAOYSA-N |