2-amino-1-(2-ethylphenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(2-ethylphenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(2-ethylphenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8018-4060 |
| Compound Name: | 2-amino-1-(2-ethylphenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C24 H24 N4 O3 S |
| Smiles: | CCc1ccccc1N1C2CC(C)(C)CC(C=2C(C(C#N)=C1N)c1ccc([N+]([O-])=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4716 |
| logD: | 4.4716 |
| logSw: | -4.5391 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.827 |
| InChI Key: | DQWAHQNMXHPWMJ-NRFANRHFSA-N |