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Basic information
- Standard SMILES
CC1(C)Cc2nc(C3CCN(c4ncc(OCCCCC(=O)O)cn4)CC3)c(C(F)c3ccc(C(F)(F)F)cc3)c(C3CCC(F)(F)CC3)c2C(O)C1- InChIKey
VMEJAMYBFBMTSY-UHFFFAOYSA-N- Molecular formula
- C39H46F6N4O4
- Average molar mass
- 748.8 g/mol
Names & identifiers
- Preferred name
- (-)-2-{1-[5-(4-Carboxybutoxy)pyrimidin-2-yl]piperidin-4-yl}-4-(4,4-difluorocyclohexyl)-3-{fluoro[4-(trifluoromethyl)phenyl]methyl}-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol
- IUPAC
- 5-[2-[4-[4-(4,4-difluorocyclohexyl)-3-[fluoro-[4-(trifluoromethyl)phenyl]methyl]-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinolin-2-yl]piperidin-1-yl]pyrimidin-5-yl]oxypentanoic acid
Names & synonyms
(-)-2-{1-[5-(4-Carboxybutoxy)pyrimidin-2-yl]piperidin-4-yl}-4-(4,4-difluorocyclohexyl)-3-{fluoro[4-(trifluoromethyl)phenyl]methyl}-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-5-olSCHEMBL14892604(-)-2-{1-[5-(4-Carboxybutoxyl)pyrimidin-2-yl]piperidin-4-yl}-4-(4,4-difluorocyclohexyl)-3-{fluoro[4-(trifluoromethyl)phenyl]methyl}-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol
Database identifiers
- PubChem CID
- 76372467
Properties
Computed structural propertiesFilling in
- XLogP
- 7.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 11
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
1 records
Compound notes
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