2-amino-1-(2-chlorophenyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(2-chlorophenyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(2-chlorophenyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-9936 |
| Compound Name: | 2-amino-1-(2-chlorophenyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 421.93 |
| Molecular Formula: | C23 H24 Cl N5 O |
| Smiles: | Cc1c(cnn1C)C1C(C#N)=C(N)N(C2CC(C)(C)CC(C1=2)=O)c1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7797 |
| logD: | 2.7797 |
| logSw: | -3.3855 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.562 |
| InChI Key: | CCTWPQFVBZATFG-HXUWFJFHSA-N |