ARC 239 dihydrochloride

CAT: 0024-sc-203518Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-203518Size:5 mg

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CAS Number

67339-62-2

Chemical Information

AR-C-239

2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-4,4-dimethylisoquinoline-1,3-dione is a member of piperazines.

CAS Number	67339-62-2
PubChem CID	609483
IUPAC Name	2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,4-dimethylisoquinoline-1,3-dione
Molecular Formula	C24H29N3O3
Molecular Weight	407.5
XLogP	3.4
Topological Polar Surface Area	53.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	30
Formal Charge	0
Complexity	629

SMILES

CC1(C2=CC=CC=C2C(=O)N(C1=O)CCN3CCN(CC3)C4=CC=CC=C4OC)C

InChI

InChI=1S/C24H29N3O3/c1-24(2)19-9-5-4-8-18(19)22(28)27(23(24)29)17-14-25-12-15-26(16-13-25)20-10-6-7-11-21(20)30-3/h4-11H,12-17H2,1-3H3

InChIKey

JFNKXGOEOQCXDM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 67339-62-2

CID: 609483

Formula: C24H29N3O3

MW: 407.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	407.5
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	407.22089180
Monoisotopic Mass	407.22089180
Topological Polar Surface Area	53.1 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	629
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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