CGK 733 500mg

CAT: 0628-A13191-500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0628-A13191-500Size:500 mg

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CAS Number

905973-89-9

Chemical Information

Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea

2,2-diphenyl-N-[2,2,2-trichloro-1-[[(4-fluoro-3-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide is a diarylmethane.

CAS Number	905973-89-9
PubChem CID	6605258
IUPAC Name	2,2-diphenyl-N-[2,2,2-trichloro-1-[(4-fluoro-3-nitrophenyl)carbamothioylamino]ethyl]acetamide
Molecular Formula	C23H18Cl3FN4O3S
Molecular Weight	555.8
XLogP	6.1
Topological Polar Surface Area	131
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	35
Formal Charge	0
Complexity	725

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C23H18Cl3FN4O3S/c24-23(25,26)21(30-22(35)28-16-11-12-17(27)18(13-16)31(33)34)29-20(32)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,21H,(H,29,32)(H2,28,30,35)

InChIKey

HLCDNLNLQNYZTK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 905973-89-9

CID: 6605258

Formula: C23H18Cl3FN4O3S

MW: 555.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	555.8
XLogP3	6.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	554.014923
Monoisotopic Mass	554.014923
Topological Polar Surface Area	131 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	725
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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A13191-10	CGK 733 10mg
A13191-100	CGK 733 100mg
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A11040-50	TAK-733 50mg
A11040-25	TAK-733 25mg
A11040-2	TAK-733 2mg
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CGK 733 500mg

Chemical Information

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