4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanoic acid
Chemical Structure Depiction of
4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanoic acid
4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanoic acid
Compound characteristics
| Compound ID: | N121-0005 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanoic acid |
| Molecular Weight: | 356.51 |
| Molecular Formula: | C22 H32 N2 O2 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(O)=O)N(Cc2ccccc2)C1 |
| Stereo: | ABSOLUTE |
| logP: | 2.1679 |
| logD: | 2.1679 |
| logSw: | -2.3347 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.826 |
| InChI Key: | FXQCBKMSWKCUDG-NXLVEIQXSA-N |