2-amino-4-(5-bromothiophen-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(5-bromothiophen-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-(5-bromothiophen-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-8412 |
| Compound Name: | 2-amino-4-(5-bromothiophen-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 556.83 |
| Molecular Formula: | C23 H18 Br Cl F3 N3 O S |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2cc(ccc2[Cl])C(F)(F)F)c2ccc(s2)[Br])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7428 |
| logD: | 5.7428 |
| logSw: | -6.0363 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.094 |
| InChI Key: | WXCNYJBUSDVALK-IBGZPJMESA-N |