(-)-4-(4,4-Difluorocyclohexyl)-3-{fluoro[4-(trifluoromethyl)phenyl]methyl}-7,7-dimethyl-2-[1-(5-methylthiopyrimidin-2-yl)-piperidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-ol

HCID 86682467
Substructure searchFind similar structures

Basic information

Standard SMILES
CSc1cnc(N2CCC(c3nc4c(c(C5CCC(F)(F)CC5)c3C(F)c3ccc(C(F)(F)F)cc3)C(O)CC(C)(C)C4)CC2)nc1
InChIKey
GFZXTTXQXLZSLI-UHFFFAOYSA-N
Molecular formula
C35H40F6N4OS
Average molar mass
678.8 g/mol

Names & identifiers

Preferred name
(-)-4-(4,4-Difluorocyclohexyl)-3-{fluoro[4-(trifluoromethyl)phenyl]methyl}-7,7-dimethyl-2-[1-(5-methylthiopyrimidin-2-yl)-piperidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-ol
IUPAC
4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-7,7-dimethyl-2-[1-(5-methylsulfanylpyrimidin-2-yl)piperidin-4-yl]-6,8-dihydro-5H-quinolin-5-ol

Names & synonyms

(-)-4-(4,4-Difluorocyclohexyl)-3-{fluoro[4-(trifluoromethyl)phenyl]methyl}-7,7-dimethyl-2-[1-(5-methylthiopyrimidin-2-yl)-piperidin-4-yl]-5,6,7,8-tetrahydroquinolin-5-olSCHEMBL14892025

Database identifiers

PubChem CID
86682467

Properties

Computed structural properties

XLogP
7.8
Topological polar surface area
87.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
12
Rotatable bonds
6
Heavy atoms
47

Related reactions

1 records
New reaction record

Linked notes

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