4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[(2,5-dimethoxyphenyl)methyl]butanamide
Chemical Structure Depiction of
4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[(2,5-dimethoxyphenyl)methyl]butanamide
4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[(2,5-dimethoxyphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | N121-0556 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[(2,5-dimethoxyphenyl)methyl]butanamide |
| Molecular Weight: | 505.7 |
| Molecular Formula: | C31 H43 N3 O3 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NCc2cc(ccc2OC)OC)=O)N(Cc2ccccc2)C1 |
| Stereo: | ABSOLUTE |
| logP: | 3.6538 |
| logD: | 2.4437 |
| logSw: | -3.9114 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.817 |
| InChI Key: | REEVSYKYEHAARF-GUYMFIDCSA-N |