Basic information
- Standard SMILES
Cn1cc(-c2ccc(C(F)(F)F)cc2C2=CCN(C(=O)OC(C)(C)C)CC2)c2ccc(S(=O)(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc21- InChIKey
RDOUWQANXYZTKA-UHFFFAOYSA-N- Molecular formula
- C32H26F8N2O5S
- Average molar mass
- 702.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl 4-(2-(1-methyl-6-((perfluorophenoxy)sulfonyl)-1H-indol-3-yl)-5-(trifluoromethyl)phenyl)-5,6-dihydropyridine-1(2H)-carboxylate
- IUPAC
- tert-butyl 4-[2-[1-methyl-6-(2,3,4,5,6-pentafluorophenoxy)sulfonylindol-3-yl]-5-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Names & synonyms
tert-butyl 4-(2-(1-methyl-6-((perfluorophenoxy)sulfonyl)-1H-indol-3-yl)-5-(trifluoromethyl)phenyl)-5,6-dihydropyridine-1(2H)-carboxylateSCHEMBL14699583
Database identifiers
- PubChem CID
- 89407773
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,290
Related reactions
2 records
Compound notes
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