N-benzyl-4-[(1R,3aS,10aR,10bS)-2-(thiophene-2-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-(thiophene-2-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
N-benzyl-4-[(1R,3aS,10aR,10bS)-2-(thiophene-2-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
Compound characteristics
| Compound ID: | N106-1233 |
| Compound Name: | N-benzyl-4-[(1R,3aS,10aR,10bS)-2-(thiophene-2-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide |
| Molecular Weight: | 465.66 |
| Molecular Formula: | C27 H35 N3 O2 S |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NCc2ccccc2)=O)N(C1)C(c1cccs1)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0862 |
| logD: | 0.6244 |
| logSw: | -3.2976 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.411 |
| InChI Key: | RKIUGBZVKDAYOX-ICLZECGLSA-N |