N-benzyl-4-[(1R,3aS,10aS,10bS)-2-(1-ethyl-1H-pyrazole-4-sulfonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
Chemical Structure Depiction of
N-benzyl-4-[(1R,3aS,10aS,10bS)-2-(1-ethyl-1H-pyrazole-4-sulfonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
N-benzyl-4-[(1R,3aS,10aS,10bS)-2-(1-ethyl-1H-pyrazole-4-sulfonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
Compound characteristics
| Compound ID: | N106-1451 |
| Compound Name: | N-benzyl-4-[(1R,3aS,10aS,10bS)-2-(1-ethyl-1H-pyrazole-4-sulfonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide |
| Molecular Weight: | 513.7 |
| Molecular Formula: | C27 H39 N5 O3 S |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NCc2ccccc2)=O)N(C1)S(c1cnn(CC)c1)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6005 |
| logD: | 0.2743 |
| logSw: | -2.3428 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.734 |
| InChI Key: | MSQDIFZAZJWOOT-LYPBTDJXSA-N |