2-amino-1-(3-chlorophenyl)-7,7-dimethyl-5-oxo-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(3-chlorophenyl)-7,7-dimethyl-5-oxo-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(3-chlorophenyl)-7,7-dimethyl-5-oxo-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y509-1291 |
| Compound Name: | 2-amino-1-(3-chlorophenyl)-7,7-dimethyl-5-oxo-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 435.96 |
| Molecular Formula: | C24 H26 Cl N5 O |
| Smiles: | Cc1c(C2C(C#N)=C(N)N(C3CC(C)(C)CC(C2=3)=O)c2cccc(c2)[Cl])c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8257 |
| logD: | 2.8257 |
| logSw: | -3.3798 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.216 |
| InChI Key: | WPRLXYRTLGTQRD-OAQYLSRUSA-N |