PK68

CAT: 0127-BUP12690-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12690-01Size:10 mg

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CAS Number

2173556-69-7

Purity

=98%

Smiles

CC(=O)Nc1nc2ccc(cc2s1)-c1cnc(C)c(NC(=O)OC2CCCCC2)c1

Chemical Information

Cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpyridin-3-yl]carbamate

CAS Number	2173556-69-7
PubChem CID	134203923
IUPAC Name	cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate
Molecular Formula	C22H24N4O3S
Molecular Weight	424.5
XLogP	4.2
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	30
Formal Charge	0
Complexity	615

SMILES

CC1=C(C=C(C=N1)C2=CC3=C(C=C2)N=C(S3)NC(=O)C)NC(=O)OC4CCCCC4

InChI

InChI=1S/C22H24N4O3S/c1-13-19(26-22(28)29-17-6-4-3-5-7-17)10-16(12-23-13)15-8-9-18-20(11-15)30-21(25-18)24-14(2)27/h8-12,17H,3-7H2,1-2H3,(H,26,28)(H,24,25,27)

InChIKey

DRCNWQYEKZTTEW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2173556-69-7

CID: 134203923

Formula: C22H24N4O3S

MW: 424.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	424.5
XLogP3	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	424.15691181
Monoisotopic Mass	424.15691181
Topological Polar Surface Area	121 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	615
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

Alternative Products

Catalog	Name
BA3504-25	PK68
A18582-10	PK68 10mg
A18582-500	PK68 500mg
A18582-5	PK68 5mg
A18582-100	PK68 100mg
A18582-50	PK68 50mg
A18582-25	PK68 25mg
A18582-1	PK68 1mg
A18582-10mM-D	PK68 10mM * 1mL in DMSO

PK68

Chemical Information

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