1-[2,5-dioxo-4-(thiophen-3-yl)-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
1-[2,5-dioxo-4-(thiophen-3-yl)-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
1-[2,5-dioxo-4-(thiophen-3-yl)-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8018-5758 |
| Compound Name: | 1-[2,5-dioxo-4-(thiophen-3-yl)-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C21 H19 N3 O3 S |
| Smiles: | CC1=CC(C)=C(C#N)C(N1N1C2CCCC(C=2C(CC1=O)c1ccsc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7476 |
| logD: | 1.7476 |
| logSw: | -2.3331 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.368 |
| InChI Key: | HRNJPHYHHIEYBA-HNNXBMFYSA-N |