Name: Name:(2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid
Brand: Angene
SKU: AG01EM8X
Rating: 90 (10 reviews)

(2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid

CAS No.:

956505-56-9

Catalog Number:

AG01EM8X

Molecular Formula:

C17H14N2O2S

Molecular Weight:

310.3703

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Product Description

Catalog Number:

AG01EM8X

Chemical Name:

(2E)-3-[1-benzyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-2-enoic acid

CAS Number:

956505-56-9

Molecular Formula:

C17H14N2O2S

Molecular Weight:

310.3703

MDL Number:

MFCD06363476

IUPAC Name:

(E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoic acid

InChI:

InChI=1S/C17H14N2O2S/c20-16(21)9-8-14-12-19(11-13-5-2-1-3-6-13)18-17(14)15-7-4-10-22-15/h1-10,12H,11H2,(H,20,21)/b9-8+

InChI Key:

QPXDCSBPVLLSLU-CMDGGOBGSA-N

SMILES:

OC(=O)/C=C/c1cn(nc1c1cccs1)Cc1ccccc1

Properties

Complexity:

410

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

310.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

310.371g/mol

Monoisotopic Mass:

310.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501