4-methoxy-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-methoxy-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-methoxy-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: | K622-0245 |
| Compound Name: | 4-methoxy-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: | 684.77 |
| Molecular Formula: | C35 H36 N6 O7 S |
| Smiles: | COc1ccc(cc1)S(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6402 |
| logD: | 4.1203 |
| logSw: | -4.4619 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.875 |
| InChI Key: | QBNTZVIYNYRJQF-UHFFFAOYSA-N |