VE-821 10mg

CAT: 0628-A11605-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A11605-10Size:10 mg

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CAS Number

1232410-49-9

Chemical Information

VE-821

3-amino-6-(4-methylsulfonylphenyl)-N-phenyl-2-pyrazinecarboxamide is an aromatic amide.

CAS Number	1232410-49-9
PubChem CID	51000408
IUPAC Name	3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide
Molecular Formula	C18H16N4O3S
Molecular Weight	368.4
XLogP	2.1
Topological Polar Surface Area	123
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	578

SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N

InChI

InChI=1S/C18H16N4O3S/c1-26(24,25)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20)(H,21,23)

InChIKey

DUIHHZKTCSNTGM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1232410-49-9

CID: 51000408

Formula: C18H16N4O3S

MW: 368.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	368.4
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	368.09431156
Monoisotopic Mass	368.09431156
Topological Polar Surface Area	123 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	578
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
406257	VE-821
BV168070-01	VE 821