2-amino-4-{5-methyl-4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{5-methyl-4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-{5-methyl-4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-7067 |
| Compound Name: | 2-amino-4-{5-methyl-4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 528.6 |
| Molecular Formula: | C27 H27 F3 N4 O2 S |
| Smiles: | Cc1c(CN2CCOCC2)cc(C2C(C#N)=C(N)N(C3CCCC(C2=3)=O)c2ccccc2C(F)(F)F)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8596 |
| logD: | 3.1474 |
| logSw: | -4.1895 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.735 |
| InChI Key: | RDTZVFNOEGVYLO-DEOSSOPVSA-N |