4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-{[4-(morpholin-4-yl)phenyl]methyl}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-{[4-(morpholin-4-yl)phenyl]methyl}butanamide
4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-{[4-(morpholin-4-yl)phenyl]methyl}butanamide
Compound characteristics
| Compound ID: | N121-0985 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-{[4-(morpholin-4-yl)phenyl]methyl}butanamide |
| Molecular Weight: | 544.74 |
| Molecular Formula: | C33 H44 N4 O3 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NCc2ccc(cc2)N2CCOCC2)=O)N(C1)C(c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.7692 |
| logD: | 0.3075 |
| logSw: | -3.0814 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.754 |
| InChI Key: | BHYKNGGQSAJERI-SSKIFPDDSA-N |