N-(2-methoxy-5-methylphenyl)-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-methoxy-5-methylphenyl)-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide
N-(2-methoxy-5-methylphenyl)-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | N117-0042 |
| Compound Name: | N-(2-methoxy-5-methylphenyl)-1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidine-4-carboxamide |
| Molecular Weight: | 468.6 |
| Molecular Formula: | C26 H36 N4 O4 |
| Smiles: | [H][C@@]12CCCC(N2CC2C[C@@H]1CN(C2)C(N1CCC(CC1)C(Nc1cc(C)ccc1OC)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.1532 |
| logD: | 2.153 |
| logSw: | -2.8183 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.95 |
| InChI Key: | QLZMEDZAFFMGRM-CZTZKLFOSA-N |