Pitstop 2 10mM * 1mL in DMSO

CAT: 0628-A22252-10mM-DSize: 10 mM x 1mL in DMSODry Ice: NoHazardous: No

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CAT#:0628-A22252-10mM-DSize:10 mM x 1mL in DMSO

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CAS Number

1419320-73-2

Chemical Information

N-(5-(4-Bromobenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)naphthalene-1-sulfonamide

CAS Number	1419320-73-2
PubChem CID	137254289
IUPAC Name	N-[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]naphthalene-1-sulfonamide
Molecular Formula	C20H13BrN2O3S2
Molecular Weight	473.4
XLogP	5.5
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	28
Formal Charge	0
Complexity	767

SMILES

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)N=C3NC(=O)/C(=C/C4=CC=C(C=C4)Br)/S3

InChI

InChI=1S/C20H13BrN2O3S2/c21-15-10-8-13(9-11-15)12-17-19(24)22-20(27-17)23-28(25,26)18-7-3-5-14-4-1-2-6-16(14)18/h1-12H,(H,22,23,24)/b17-12-

InChIKey

CGDLWHGPJPVPDU-ATVHPVEESA-N

Chemical Structure

2D Structure

CAS: 1419320-73-2

CID: 137254289

Formula: C20H13BrN2O3S2

MW: 473.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	473.4
XLogP3	5.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	471.95510
Monoisotopic Mass	471.95510
Topological Polar Surface Area	109 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	767
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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