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Kif15-IN-2 10mg

CAT: 0628-A21088-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A21088-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
672926-33-9

Chemical Information

Kif15-IN-2
CAS Number672926-33-9
PubChem CID60076305
IUPAC Name(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methyl-N-[4-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]butanamide
Molecular FormulaC20H20N6O4S
Molecular Weight440.5
XLogP2.6
Topological Polar Surface Area159
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity724
SMILES
CC1=C(SC(=N1)NC(=O)[C@H](C(C)C)N2C(=O)C3=CC=CC=C3NC2=O)C4=NN=C(O4)C
InChI
InChI=1S/C20H20N6O4S/c1-9(2)14(26-18(28)12-7-5-6-8-13(12)22-20(26)29)16(27)23-19-21-10(3)15(31-19)17-25-24-11(4)30-17/h5-9,14H,1-4H3,(H,22,29)(H,21,23,27)/t14-/m0/s1
InChIKey
OHVKUJISCPKSER-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of Kif15-IN-2
CAS: 672926-33-9
CID: 60076305
Formula: C20H20N6O4S
MW: 440.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.5
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass440.12667431
Monoisotopic Mass440.12667431
Topological Polar Surface Area159 Ų
Heavy Atom Count31
Formal Charge0
Complexity724
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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