(11aR)-3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
(11aR)-3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(11aR)-3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | N108-0061 |
| Compound Name: | (11aR)-3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 367.49 |
| Molecular Formula: | C22 H29 N3 O2 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(CC(N1CCc3ccccc3C1)=O)C2)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6915 |
| logD: | 1.6396 |
| logSw: | -2.0175 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.259 |
| InChI Key: | FXIZZTRHSNRNCD-NSISKUIASA-N |