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RSK4-IN-1

CAT: 0607-BA6544-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6544-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2755819-10-2
Form
A solid
Molecular Formula
C19H20F2N4O3
Molecular Weight
390.38
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Rsk4-IN-1
CAS Number2755819-10-2
PubChem CID162640910
IUPAC Name1-cyclopentyl-7-(3,5-difluoro-4-hydroxyanilino)-4,4-dimethylpyrimido[4,5-d][1,3]oxazin-2-one
Molecular FormulaC19H20F2N4O3
Molecular Weight390.4
XLogP3.5
Topological Polar Surface Area87.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity578
SMILES
CC1(C2=CN=C(N=C2N(C(=O)O1)C3CCCC3)NC4=CC(=C(C(=C4)F)O)F)C
InChI
InChI=1S/C19H20F2N4O3/c1-19(2)12-9-22-17(23-10-7-13(20)15(26)14(21)8-10)24-16(12)25(18(27)28-19)11-5-3-4-6-11/h7-9,11,26H,3-6H2,1-2H3,(H,22,23,24)
InChIKey
MVDARJWPZGHODF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rsk4-IN-1
CAS: 2755819-10-2
CID: 162640910
Formula: C19H20F2N4O3
MW: 390.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight390.4
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass390.15034684
Monoisotopic Mass390.15034684
Topological Polar Surface Area87.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity578
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