2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3,4-dimethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3,4-dimethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3,4-dimethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8007-4772 |
| Compound Name: | 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3,4-dimethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 503.91 |
| Molecular Formula: | C25 H21 Cl F3 N3 O3 |
| Smiles: | COc1ccc(cc1OC)C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1cc(ccc1[Cl])C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.101 |
| logD: | 4.101 |
| logSw: | -4.6881 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.337 |
| InChI Key: | YKWYIJKNTLDCBS-QFIPXVFZSA-N |