2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4306-0462 |
| Compound Name: | 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 505.99 |
| Molecular Formula: | C25 H23 Cl F3 N3 O S |
| Smiles: | CCc1ccc(C2C(C#N)=C(N)N(C3CC(C)(C)CC(C2=3)=O)c2cc(ccc2[Cl])C(F)(F)F)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8534 |
| logD: | 5.8534 |
| logSw: | -6.0606 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.094 |
| InChI Key: | CJSOXHGLTLZNLQ-OAQYLSRUSA-N |