GR 103691 100mg

CAT: 0628-A12991-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A12991-100Size:100 mg

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CAS Number

162408-66-4

Chemical Information

GR-103691

4-(4-acetylphenyl)-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]benzamide is an aromatic ketone.

CAS Number	162408-66-4
PubChem CID	4302960
IUPAC Name	4-(4-acetylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
Molecular Formula	C30H35N3O3
Molecular Weight	485.6
XLogP	4.8
Topological Polar Surface Area	61.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Heavy Atom Count	36
Formal Charge	0
Complexity	677

SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCCCN3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)

InChIKey

JARNORYOPMINDY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 162408-66-4

CID: 4302960

Formula: C30H35N3O3

MW: 485.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	485.6
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	485.26784199
Monoisotopic Mass	485.26784199
Topological Polar Surface Area	61.9 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	677
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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