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]-N-phenylbutanamide
Chemical Structure Depiction of
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]-N-phenylbutanamide
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]-N-phenylbutanamide
Compound characteristics
| Compound ID: | N106-1170 |
| Compound Name: | 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]-N-phenylbutanamide |
| Molecular Weight: | 463.62 |
| Molecular Formula: | C27 H37 N5 O2 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(Nc2ccccc2)=O)N(C1)C(c1ccnn1CC)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9964 |
| logD: | -0.4653 |
| logSw: | -2.3307 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.159 |
| InChI Key: | VUBMONAQIQRTAD-HUBRGWSESA-N |