4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]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-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]butanamide
4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]butanamide
Compound characteristics
| Compound ID: | N121-0972 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]butanamide |
| Molecular Weight: | 506.69 |
| Molecular Formula: | C30 H42 N4 O3 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NCCCc2c(C)noc2C)=O)N(C1)C(c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.5605 |
| logD: | 0.0988 |
| logSw: | -2.7382 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.272 |
| InChI Key: | JWCSKGFASWEZMI-UNXBZVTQSA-N |