4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[(pyridin-4-yl)methyl]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-[(pyridin-4-yl)methyl]butanamide
4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[(pyridin-4-yl)methyl]butanamide
Compound characteristics
| Compound ID: | N121-0575 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[(pyridin-4-yl)methyl]butanamide |
| Molecular Weight: | 446.64 |
| Molecular Formula: | C28 H38 N4 O |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NCc2ccncc2)=O)N(Cc2ccccc2)C1 |
| Stereo: | ABSOLUTE |
| logP: | 2.0972 |
| logD: | 0.8871 |
| logSw: | -2.3197 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.071 |
| InChI Key: | QVPXENXPEQSJSF-NLFSJDMNSA-N |