N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butanamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butanamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butanamide
Compound characteristics
| Compound ID: | N121-0700 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butanamide |
| Molecular Weight: | 474.67 |
| Molecular Formula: | C25 H38 N4 O3 S |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NC2CCS(C2)(=O)=O)=O)N(Cc2cccnc2)C1 |
| Stereo: | ABSOLUTE |
| logP: | -0.1576 |
| logD: | -1.3677 |
| logSw: | -1.8197 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.323 |
| InChI Key: | HIZMMKVNZDHCJW-FKWNRFJLSA-N |