4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(2-phenylethyl)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-phenylethyl)butanamide
4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(2-phenylethyl)butanamide
Compound characteristics
Compound ID: | N121-0876 |
Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(2-phenylethyl)butanamide |
Molecular Weight: | 473.66 |
Molecular Formula: | C30 H39 N3 O2 |
Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NCCc2ccccc2)=O)N(C1)C(c1ccccc1)=O |
Stereo: | ABSOLUTE |
logP: | 2.825 |
logD: | 0.3632 |
logSw: | -3.3223 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 43.234 |
InChI Key: | NYYPRQWZHHCCIJ-LTGLEFCMSA-N |