4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[3-(1H-pyrazol-1-yl)propyl]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-[3-(1H-pyrazol-1-yl)propyl]butanamide
4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[3-(1H-pyrazol-1-yl)propyl]butanamide
Compound characteristics
| Compound ID: | N121-0601 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[3-(1H-pyrazol-1-yl)propyl]butanamide |
| Molecular Weight: | 463.67 |
| Molecular Formula: | C28 H41 N5 O |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NCCCn2cccn2)=O)N(Cc2ccccc2)C1 |
| Stereo: | ABSOLUTE |
| logP: | 1.6503 |
| logD: | 0.4403 |
| logSw: | -2.0762 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.257 |
| InChI Key: | USPSHLZETVXFQZ-IYUNARRTSA-N |