4-[(1R,3aS,10aR,10bS)-2-(2H-1,3-benzodioxole-5-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(cyclopropylmethyl)butanamide
Chemical Structure Depiction of
4-[(1R,3aS,10aR,10bS)-2-(2H-1,3-benzodioxole-5-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(cyclopropylmethyl)butanamide
4-[(1R,3aS,10aR,10bS)-2-(2H-1,3-benzodioxole-5-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(cyclopropylmethyl)butanamide
Compound characteristics
| Compound ID: | N106-0678 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-(2H-1,3-benzodioxole-5-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(cyclopropylmethyl)butanamide |
| Molecular Weight: | 467.61 |
| Molecular Formula: | C27 H37 N3 O4 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NCC2CC2)=O)N(C1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.2292 |
| logD: | -0.2325 |
| logSw: | -2.8657 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.031 |
| InChI Key: | TVHVPOXZFPBPSW-PIXQIBFHSA-N |