1-ethyl-N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}-1H-pyrazole-4-sulfonamide
Chemical Structure Depiction of
1-ethyl-N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}-1H-pyrazole-4-sulfonamide
1-ethyl-N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}-1H-pyrazole-4-sulfonamide
Compound characteristics
| Compound ID: | N118-0137 |
| Compound Name: | 1-ethyl-N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}-1H-pyrazole-4-sulfonamide |
| Molecular Weight: | 478.61 |
| Molecular Formula: | C22 H34 N6 O4 S |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C(N1CCC(CC1)NS(c1cnn(CC)c1)(=O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.6609 |
| logD: | 0.66 |
| logSw: | -1.9089 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.933 |
| InChI Key: | CINWSSYSCLNYHX-SQGPQFPESA-N |