N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}thiophene-2-sulfonamide
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}thiophene-2-sulfonamide
N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | N118-0121 |
| Compound Name: | N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}thiophene-2-sulfonamide |
| Molecular Weight: | 466.62 |
| Molecular Formula: | C21 H30 N4 O4 S2 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C(N1CCC(CC1)NS(c1cccs1)(=O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.676 |
| logD: | 1.6758 |
| logSw: | -2.4203 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.449 |
| InChI Key: | RURZICDVCYYZFS-LZLYRXPVSA-N |