N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-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-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | N117-0119 |
| Compound Name: | N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide |
| Molecular Weight: | 484.64 |
| Molecular Formula: | C26 H40 N6 O3 |
| Smiles: | [H][C@@]12CCCC(N2CC2C[C@@H]1CN(C2)C(N1CCC(CC1)C(NCc1c(C)nn(CC)c1C)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9918 |
| logD: | 0.9918 |
| logSw: | -1.4145 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.617 |
| InChI Key: | FFVGSHNFOOFRRV-XKCSPQBFSA-N |