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PKR-IN-2 200mg

CAT: 0628-A12558-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0628-A12558-200Size:200 mg
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CAS Number
1628428-01-2

Chemical Information

Pkr-IN-2
CAS Number1628428-01-2
PubChem CID86295470
IUPAC NameN-[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]quinoxaline-5-sulfonamide
Molecular FormulaC24H28N4O4S
Molecular Weight468.6
XLogP2.6
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity768
SMILES
CC(C)CC1(CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=NC=CN=C43)O
InChI
InChI=1S/C24H28N4O4S/c1-17(2)16-24(30)10-14-28(15-11-24)23(29)18-6-8-19(9-7-18)27-33(31,32)21-5-3-4-20-22(21)26-13-12-25-20/h3-9,12-13,17,27,30H,10-11,14-16H2,1-2H3
InChIKey
JTGUGSWLWPKCGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pkr-IN-2
CAS: 1628428-01-2
CID: 86295470
Formula: C24H28N4O4S
MW: 468.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.6
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass468.18312656
Monoisotopic Mass468.18312656
Topological Polar Surface Area121 Ų
Heavy Atom Count33
Formal Charge0
Complexity768
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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