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HG6-64-1

CAT: 0607-BA6533-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6533-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1315329-43-1
Form
A solid
Molecular Formula
C32H34F3N5O2
Molecular Weight
577.64
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

(E)-N-(4-((4-Ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)vinyl)-4-methylbenzamide

N-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylbenzamide is a member of benzamides.

CAS Number1315329-43-1
PubChem CID53302361
IUPAC NameN-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylbenzamide
Molecular FormulaC32H34F3N5O2
Molecular Weight577.6
XLogP5.7
Topological Polar Surface Area73.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity911
SMILES
CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F
InChI
InChI=1S/C32H34F3N5O2/c1-4-39-13-15-40(16-14-39)20-25-9-10-26(18-28(25)32(33,34)35)38-31(41)23-6-5-21(2)22(17-23)7-8-24-19-37-30-27(11-12-36-30)29(24)42-3/h5-12,17-19H,4,13-16,20H2,1-3H3,(H,36,37)(H,38,41)/b8-7+
InChIKey
UMBFDGUGXMOMHX-BQYQJAHWSA-N
Chemical Structure
2D Structure
2D structure of (E)-N-(4-((4-Ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)vinyl)-4-methylbenzamide
CAS: 1315329-43-1
CID: 53302361
Formula: C32H34F3N5O2
MW: 577.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight577.6
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass577.26645983
Monoisotopic Mass577.26645983
Topological Polar Surface Area73.5 Ų
Heavy Atom Count42
Formal Charge0
Complexity911
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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