4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)butanamide
Chemical Structure Depiction of
4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)butanamide
4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)butanamide
Compound characteristics
| Compound ID: | N121-0594 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)butanamide |
| Molecular Weight: | 473.68 |
| Molecular Formula: | C26 H39 N3 O3 S |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NC2CCS(C2)(=O)=O)=O)N(Cc2ccccc2)C1 |
| Stereo: | ABSOLUTE |
| logP: | 1.1556 |
| logD: | -0.0545 |
| logSw: | -2.3161 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.805 |
| InChI Key: | ZMXDHJRIHCPSMQ-ZJOPUVHLSA-N |