N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | N117-0009 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C26 H34 N4 O5 |
| Smiles: | [H][C@@]12CCCC(N2CC2C[C@@H]1CN(C2)C(N1CCC(CC1)C(Nc1ccc2c(c1)OCCO2)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9902 |
| logD: | 0.99 |
| logSw: | -1.9713 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.84 |
| InChI Key: | QHWINESEUIRMCM-FBBABVLZSA-N |