N-benzyl-4-[(1R,3aS,10aR,10bS)-2-(4-fluorobenzoyl)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-(4-fluorobenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
N-benzyl-4-[(1R,3aS,10aR,10bS)-2-(4-fluorobenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
Compound characteristics
| Compound ID: | N106-1237 |
| Compound Name: | N-benzyl-4-[(1R,3aS,10aR,10bS)-2-(4-fluorobenzoyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide |
| Molecular Weight: | 477.62 |
| Molecular Formula: | C29 H36 F N3 O2 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NCc2ccccc2)=O)N(C1)C(c1ccc(cc1)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.1844 |
| logD: | 0.7226 |
| logSw: | -3.3289 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.393 |
| InChI Key: | YTEZZFJQZWMTAC-GTVIQNQPSA-N |