2-amino-1-(2-cyanophenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(2-cyanophenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(2-cyanophenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8009-9127 |
| Compound Name: | 2-amino-1-(2-cyanophenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C23 H20 N4 O S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2ccccc2C#N)c2ccsc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2271 |
| logD: | 3.2271 |
| logSw: | -3.7779 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.15 |
| InChI Key: | DXUBASFASHZIKC-HXUWFJFHSA-N |