N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pyridine-3-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pyridine-3-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | N114-0076 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pyridine-3-carboxamide |
| Molecular Weight: | 422.57 |
| Molecular Formula: | C25 H34 N4 O2 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)c1c(cccn1)C(NCCC1CCCCC=1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0395 |
| logD: | 3.0395 |
| logSw: | -3.5899 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.352 |
| InChI Key: | IMAIGFOHTJGMRQ-TUNNFDKTSA-N |