BAY 57-1293

CAT: 0024-sc-503263Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-503263Size:5 mg

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CAS Number

348086-71-5

Chemical Information

N-(5-(Aminosulfonyl)-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-(4-(2-pyridinyl)phenyl)acetamide

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CAS Number	348086-71-5
PubChem CID	491941
IUPAC Name	N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide
Molecular Formula	C18H18N4O3S2
Molecular Weight	402.5
XLogP	2.1
Topological Polar Surface Area	143
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	617

SMILES

CC1=C(SC(=N1)N(C)C(=O)CC2=CC=C(C=C2)C3=CC=CC=N3)S(=O)(=O)N

InChI

InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25)

InChIKey

IVZKZONQVYTCKC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 348086-71-5

CID: 491941

Formula: C18H18N4O3S2

MW: 402.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	402.5
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	402.08203280
Monoisotopic Mass	402.08203280
Topological Polar Surface Area	143 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	617
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