GW 4869 50mg

CAT: 0628-A11974-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A11974-50Size:50 mg

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CAS Number

6823-69-4

Chemical Information

GW4869 dihydrochloride

CAS Number	6823-69-4
PubChem CID	16078967
IUPAC Name	(E)-3-[4-[(E)-3-[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-3-oxoprop-1-enyl]phenyl]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]prop-2-enamide;dihydrochloride
Molecular Formula	C30H30Cl2N6O2
Molecular Weight	577.5
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	40
Formal Charge	0
Complexity	856

SMILES

C1NC(=NC1)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)/C=C/C(=O)NC4=CC=C(C=C4)C5=NCCN5.Cl.Cl

InChI

InChI=1S/C30H28N6O2.2ClH/c37-27(35-25-11-7-23(8-12-25)29-31-17-18-32-29)15-5-21-1-2-22(4-3-21)6-16-28(38)36-26-13-9-24(10-14-26)30-33-19-20-34-30;;/h1-16H,17-20H2,(H,31,32)(H,33,34)(H,35,37)(H,36,38);2*1H/b15-5+,16-6+;;

InChIKey

NSFKAZDTKIKLKT-CLEIDKRQSA-N

Chemical Structure

2D Structure

CAS: 6823-69-4

CID: 16078967

Formula: C30H30Cl2N6O2

MW: 577.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	577.5
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	576.1807296
Monoisotopic Mass	576.1807296
Topological Polar Surface Area	107 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	856
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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GW 4869 50mg

Chemical Information

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