N-benzyl-4-[(1R,3aS,10aR,10bS)-2-(1-ethyl-1H-pyrazole-5-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-ethyl-1H-pyrazole-5-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
N-benzyl-4-[(1R,3aS,10aR,10bS)-2-(1-ethyl-1H-pyrazole-5-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
Compound characteristics
| Compound ID: | N106-1429 |
| Compound Name: | N-benzyl-4-[(1R,3aS,10aR,10bS)-2-(1-ethyl-1H-pyrazole-5-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(c1ccnn1CC)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.8884 |
| logD: | -0.5733 |
| logSw: | -2.1537 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.481 |
| InChI Key: | PTFFHPLAVQGXSD-ANNHOSHMSA-N |