4-[(1R,3aS,10aR,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-methyl-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]butanamide
Chemical Structure Depiction of
4-[(1R,3aS,10aR,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-methyl-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]butanamide
4-[(1R,3aS,10aR,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-methyl-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]butanamide
Compound characteristics
| Compound ID: | N121-0845 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-acetyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-methyl-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]butanamide |
| Molecular Weight: | 457.66 |
| Molecular Formula: | C26 H43 N5 O2 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N(C)CCc2c(C)nn(C)c2C)=O)N(C1)C(C)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.7196 |
| logD: | -1.858 |
| logSw: | -0.6232 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.373 |
| InChI Key: | IWBWXLAUUXTWMZ-IGGXFAESSA-N |