N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
Chemical Structure Depiction of
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
Compound characteristics
| Compound ID: | N121-1102 |
| Compound Name: | N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide |
| Molecular Weight: | 514.67 |
| Molecular Formula: | C30 H38 N6 O2 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NCCc2nc3ccccc3[nH]2)=O)N(C1)C(c1cccnc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.5151 |
| logD: | -0.9466 |
| logSw: | -1.432 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.034 |
| InChI Key: | JCKMXJRDAZQILD-GHGYURFVSA-N |