1-(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)-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}methanesulfonamide
Chemical Structure Depiction of
1-(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)-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}methanesulfonamide
1-(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)-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}methanesulfonamide
Compound characteristics
| Compound ID: | K622-0247 |
| Compound Name: | 1-(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)-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}methanesulfonamide |
| Molecular Weight: | 728.87 |
| Molecular Formula: | C38 H44 N6 O7 S |
| Smiles: | CC1(C)C2CCC1(CS(Nc1cc(ccc1N1CC3CC(C1)C1=CC=CC(N1C3)=O)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)(=O)=O)C(C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2122 |
| logD: | 3.5016 |
| logSw: | -5.0587 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 128.051 |
| InChI Key: | UTLHKGRTFYLNAN-UHFFFAOYSA-N |