N-benzyl-4-[(1R,3aS,10aR,10bS)-2-(1-ethyl-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-ethyl-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-ethyl-1H-pyrazole-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
Compound characteristics
Compound ID: | N106-1430 |
Compound Name: | N-benzyl-4-[(1R,3aS,10aR,10bS)-2-(1-ethyl-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(c1ccn(CC)n1)=O |
Stereo: | ABSOLUTE |
logP: | 1.8845 |
logD: | -0.5773 |
logSw: | -2.1621 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.778 |
InChI Key: | QUMSQEMDKLLUNQ-UUNMANHLSA-N |