WEHI-9625 10mg

CAT: 0628-A18351-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A18351-10Size:10 mg

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CAS Number

2595314-46-6

Chemical Information

CID 138805616

CAS Number	2595314-46-6
PubChem CID	138805616
IUPAC Name	7-[2-(4-methoxybenzoyl)phenyl]-N-[(4-methylphenyl)methyl]-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
Molecular Formula	C34H27NO5S2
Molecular Weight	593.7
XLogP	6.5
Topological Polar Surface Area	126
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	42
Formal Charge	0
Complexity	1060

SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(S2)C4=C(C=C(C=C4)C5=CC=CC=C5C(=O)C6=CC=C(C=C6)OC)S(=O)(=O)C3

InChI

InChI=1S/C34H27NO5S2/c1-21-7-9-22(10-8-21)19-35-34(37)30-17-25-20-42(38,39)31-18-24(13-16-29(31)33(25)41-30)27-5-3-4-6-28(27)32(36)23-11-14-26(40-2)15-12-23/h3-18H,19-20H2,1-2H3,(H,35,37)

InChIKey

DQVRUUKJUZNKSW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2595314-46-6

CID: 138805616

Formula: C34H27NO5S2

MW: 593.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	593.7
XLogP3	6.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	593.13306531
Monoisotopic Mass	593.13306531
Topological Polar Surface Area	126 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	1060
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

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WEHI-9625 10mg

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