Basic information
- Standard SMILES
COc1cc(OS(=O)(=O)CCC(F)(F)F)ccc1-c1ccc2c(c1COC(=O)c1ccc(C)s1)C(C)=CC(C)(C)N2- InChIKey
XHCHARRVIFDJQM-UHFFFAOYSA-N- Molecular formula
- C29H30F3NO6S2
- Average molar mass
- 609.7 g/mol
Names & identifiers
- Preferred name
- 6-[2-Methoxy-4-(3,3,3-trifluoropropylsulfonyloxy)phenyl]-5-(5-methylthiophen-2-ylcarbonyloxymethyl)-2,2,4-trimethyl-1,2-dihydroquinoline
- IUPAC
- [6-[2-methoxy-4-(3,3,3-trifluoropropylsulfonyloxy)phenyl]-2,2,4-trimethyl-1H-quinolin-5-yl]methyl 5-methylthiophene-2-carboxylate
Names & synonyms
6-[2-Methoxy-4-(3,3,3-trifluoropropylsulfonyloxy)phenyl]-5-(5-methylthiophen-2-ylcarbonyloxymethyl)-2,2,4-trimethyl-1,2-dihydroquinolineSCHEMBL1779383
Database identifiers
- PubChem CID
- 24891729
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
3 records
Compound notes
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