N-benzyl-4-[(1R,3aS,10aR,10bS)-2-(1,5-dimethyl-1H-pyrazole-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
Chemical Structure Depiction of
N-benzyl-4-[(1R,3aS,10aR,10bS)-2-(1,5-dimethyl-1H-pyrazole-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
N-benzyl-4-[(1R,3aS,10aR,10bS)-2-(1,5-dimethyl-1H-pyrazole-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
Compound characteristics
| Compound ID: | N106-1433 |
| Compound Name: | N-benzyl-4-[(1R,3aS,10aR,10bS)-2-(1,5-dimethyl-1H-pyrazole-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide |
| Molecular Weight: | 477.65 |
| Molecular Formula: | C28 H39 N5 O2 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NCc2ccccc2)=O)N(C1)C(c1cc(C)n(C)n1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7677 |
| logD: | -0.6941 |
| logSw: | -2.2464 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.879 |
| InChI Key: | AYHBXRSMPBZEAF-JTOATPROSA-N |