BCTC 10mg

CAT: 0628-A20623-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A20623-10Size:10 mg

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CAS Number

393514-24-4

Chemical Information

N-(4-tert-Butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carboxamide

1-piperazinecarboxamide, 4-(3-chloro-2-pyridinyl)-n-[4-(1,1-dimethylethyl)phenyl]- is a member of piperazines and a member of pyridines.

CAS Number	393514-24-4
PubChem CID	9929425
IUPAC Name	N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
Molecular Formula	C20H25ClN4O
Molecular Weight	372.9
XLogP	4.3
Topological Polar Surface Area	48.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	465

SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl

InChI

InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)

InChIKey

ROGUAPYLUCHQGK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 393514-24-4

CID: 9929425

Formula: C20H25ClN4O

MW: 372.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	372.9
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	372.1716891
Monoisotopic Mass	372.1716891
Topological Polar Surface Area	48.5 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	465
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

Catalog	Name
BB165272-01	BCTC