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H3B-5942 5mg

CAT: 0628-A19960-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A19960-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2052128-15-9

Chemical Information

(2E)-4-((2-(4-((1E)-1-(1H-Indazol-5-yl)-2-phenyl-1-buten-1-yl)phenoxy)ethyl)amino)-N,N-dimethyl-2-butenamide
CAS Number2052128-15-9
PubChem CID124091011
IUPAC Name(E)-4-[2-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethylamino]-N,N-dimethylbut-2-enamide
Molecular FormulaC31H34N4O2
Molecular Weight494.6
XLogP6.1
Topological Polar Surface Area70.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count37
Formal Charge0
Complexity765
SMILES
CC/C(=C(/C1=CC=C(C=C1)OCCNC/C=C/C(=O)N(C)C)\C2=CC3=C(C=C2)NN=C3)/C4=CC=CC=C4
InChI
InChI=1S/C31H34N4O2/c1-4-28(23-9-6-5-7-10-23)31(25-14-17-29-26(21-25)22-33-34-29)24-12-15-27(16-13-24)37-20-19-32-18-8-11-30(36)35(2)3/h5-17,21-22,32H,4,18-20H2,1-3H3,(H,33,34)/b11-8+,31-28+
InChIKey
BYAUIDXIQATDBT-GIHLFXONSA-N
Chemical Structure
2D Structure
2D structure of (2E)-4-((2-(4-((1E)-1-(1H-Indazol-5-yl)-2-phenyl-1-buten-1-yl)phenoxy)ethyl)amino)-N,N-dimethyl-2-butenamide
CAS: 2052128-15-9
CID: 124091011
Formula: C31H34N4O2
MW: 494.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.6
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass494.26817634
Monoisotopic Mass494.26817634
Topological Polar Surface Area70.3 Ų
Heavy Atom Count37
Formal Charge0
Complexity765
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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