4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
Chemical Structure Depiction of
4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
Compound characteristics
| Compound ID: | N121-0881 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide |
| Molecular Weight: | 503.64 |
| Molecular Formula: | C30 H37 N3 O4 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(Nc2ccc3c(c2)OCCO3)=O)N(C1)C(c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.3225 |
| logD: | -0.1392 |
| logSw: | -3.077 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.894 |
| InChI Key: | GJCHAVBXIBWAGL-XRLCUDTISA-N |