4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)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-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]butanamide
4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]butanamide
Compound characteristics
| Compound ID: | N121-0981 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]butanamide |
| Molecular Weight: | 505.7 |
| Molecular Formula: | C30 H43 N5 O2 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N(CC)Cc2cnn(CC)c2)=O)N(C1)C(c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.2495 |
| logD: | -0.2123 |
| logSw: | -2.3082 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.103 |
| InChI Key: | UNWGHMVLTMSEEU-LTGLEFCMSA-N |