4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[(1-ethyl-3,5-dimethyl-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-[(1-ethyl-3,5-dimethyl-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-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]butanamide
Compound characteristics
| Compound ID: | N121-0973 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzoyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[(1-ethyl-3,5-dimethyl-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(NCc2c(C)nn(CC)c2C)=O)N(C1)C(c1ccccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.3355 |
| logD: | -0.1262 |
| logSw: | -2.6415 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.671 |
| InChI Key: | HEYNWANGBAKQMD-GCMXZSHTSA-N |