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SR-29065

CAT: 0127-BUP24135-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP24135-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2756883-91-5
Synonyms
SR29065, SR-29065, SR 29065
Purity
≥95%
Smiles
CC (C) CN1C=C (C2=C1C=C (C=C2) C3=CC=CC=C3C (F) (F) F) C (C (F) (F) F) NS (=O) (=O) C4CC4

Chemical Information

N-[2,2,2-trifluoro-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
CAS Number2756883-91-5
PubChem CID166911322
IUPAC NameN-[2,2,2-trifluoro-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
Molecular FormulaC24H24F6N2O2S
Molecular Weight518.5
XLogP6.4
Topological Polar Surface Area59.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity836
SMILES
CC(C)CN1C=C(C2=C1C=C(C=C2)C3=CC=CC=C3C(F)(F)F)C(C(F)(F)F)NS(=O)(=O)C4CC4
InChI
InChI=1S/C24H24F6N2O2S/c1-14(2)12-32-13-19(22(24(28,29)30)31-35(33,34)16-8-9-16)18-10-7-15(11-21(18)32)17-5-3-4-6-20(17)23(25,26)27/h3-7,10-11,13-14,16,22,31H,8-9,12H2,1-2H3
InChIKey
NECDAWXLCJDWTH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2,2,2-trifluoro-1-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]ethyl]cyclopropanesulfonamide
CAS: 2756883-91-5
CID: 166911322
Formula: C24H24F6N2O2S
MW: 518.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.5
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass518.14626816
Monoisotopic Mass518.14626816
Topological Polar Surface Area59.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity836
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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