3-fluoro-N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}benzene-1-sulfonamide
Chemical Structure Depiction of
3-fluoro-N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}benzene-1-sulfonamide
3-fluoro-N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | N118-0122 |
| Compound Name: | 3-fluoro-N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}benzene-1-sulfonamide |
| Molecular Weight: | 478.59 |
| Molecular Formula: | C23 H31 F N4 O4 S |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C(N1CCC(CC1)NS(c1cccc(c1)F)(=O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.1853 |
| logD: | 2.1852 |
| logSw: | -2.7633 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.431 |
| InChI Key: | HZTFZKIILKTHRH-CSODHUTKSA-N |