N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}benzenesulfonamide
Chemical Structure Depiction of
N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}benzenesulfonamide
N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}benzenesulfonamide
Compound characteristics
| Compound ID: | N118-0118 |
| Compound Name: | N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}benzenesulfonamide |
| Molecular Weight: | 460.59 |
| Molecular Formula: | C23 H32 N4 O4 S |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C(N1CCC(CC1)NS(c1ccccc1)(=O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.007 |
| logD: | 2.0069 |
| logSw: | -2.535 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.431 |
| InChI Key: | ZVWAHGYBQNABIY-WAOWUJCRSA-N |