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Enobosarm-d4

CAT: 1596-AR-E09830-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E09830-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1202044-20-9
Synonyms
(S) -N- (4-cyano-3- (trifluoromethyl) phenyl) -3- (4-cyanophenoxy-2,3,5,6-d4) -2-hydroxy-2-methylpropanamide
Molecular Formula
C19H10D4F3N3O3
Molecular Weight
393.36
API Name
Enobosarm

Chemical Information

Enobosarm-d4
CAS Number1202044-20-9
PubChem CID45107712
IUPAC Name(2S)-3-(4-cyano-2,3,5,6-tetradeuteriophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
Molecular FormulaC19H14F3N3O3
Molecular Weight393.4
XLogP2.7
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity658
SMILES
[2H]C1=C(C(=C(C(=C1C#N)[2H])[2H])OC[C@@](C)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O)[2H]
InChI
InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1/i2D,3D,6D,7D
InChIKey
JNGVJMBLXIUVRD-MFLSZZEWSA-N
Chemical Structure
2D Structure
2D structure of Enobosarm-d4
CAS: 1202044-20-9
CID: 45107712
Formula: C19H14F3N3O3
MW: 393.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.4
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass393.12383279
Monoisotopic Mass393.12383279
Topological Polar Surface Area106 Ų
Heavy Atom Count28
Formal Charge0
Complexity658
Isotope Atom Count4
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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