2-amino-4-(1,3-dimethyl-1H-pyrazol-4-yl)-1-(4-fluoro-3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(1,3-dimethyl-1H-pyrazol-4-yl)-1-(4-fluoro-3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(1,3-dimethyl-1H-pyrazol-4-yl)-1-(4-fluoro-3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-6672 |
| Compound Name: | 2-amino-4-(1,3-dimethyl-1H-pyrazol-4-yl)-1-(4-fluoro-3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 422.42 |
| Molecular Formula: | C21 H19 F N6 O3 |
| Smiles: | Cc1c(cn(C)n1)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1ccc(c(c1)[N+]([O-])=O)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5527 |
| logD: | 1.5527 |
| logSw: | -2.1514 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.619 |
| InChI Key: | AEPJLJOYZQMABJ-LJQANCHMSA-N |