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Enzalutamide Impurity F

CAT: 1596-AR-E09954-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E09954-01Size:25 Units
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CAS Number
2810090-73-2
Synonyms
4- (3- (1- (4-cyano-3- (trifluoromethyl) phenyl) -3-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazolin-7-yl) -4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl) -2- (trifluoromethyl) benzonitrile
Molecular Formula
C30H18F6N6O2S2
Molecular Weight
672.62
API Name
Enzalutamide

Chemical Information

4-(3-(1-(4-Cyano-3-(trifluoromethyl)phenyl)-3-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazolin-7-yl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
CAS Number2810090-73-2
PubChem CID138112253
IUPAC Name4-[7-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-methyl-4-oxo-2-sulfanylidenequinazolin-1-yl]-2-(trifluoromethyl)benzonitrile
Molecular FormulaC30H18F6N6O2S2
Molecular Weight672.6
XLogP5.9
Topological Polar Surface Area159
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count3
Heavy Atom Count46
Formal Charge0
Complexity1400
SMILES
CC1(C(=O)N(C(=S)N1C2=CC3=C(C=C2)C(=O)N(C(=S)N3C4=CC(=C(C=C4)C#N)C(F)(F)F)C)C5=CC(=C(C=C5)C#N)C(F)(F)F)C
InChI
InChI=1S/C30H18F6N6O2S2/c1-28(2)25(44)41(18-7-5-16(14-38)22(11-18)30(34,35)36)27(46)42(28)19-8-9-20-23(12-19)40(26(45)39(3)24(20)43)17-6-4-15(13-37)21(10-17)29(31,32)33/h4-12H,1-3H3
InChIKey
SVYXCONIKAIQDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3-(1-(4-Cyano-3-(trifluoromethyl)phenyl)-3-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazolin-7-yl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
CAS: 2810090-73-2
CID: 138112253
Formula: C30H18F6N6O2S2
MW: 672.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight672.6
XLogP35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count3
Exact Mass672.08368516
Monoisotopic Mass672.08368516
Topological Polar Surface Area159 Ų
Heavy Atom Count46
Formal Charge0
Complexity1400
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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