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Casein kinase 1d-IN-7

CAT: 0127-BUP11406-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP11406-01Size:10 mg
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CAS Number
764694-25-9
Purity
=98%
Smiles
O(CC(NC1=CC(C#N)=CC=C1)=O)C2=C3C(SC(C)=C3C)=NC=N2

Chemical Information

N-(3-Cyanophenyl)-2-((5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy)acetamide
CAS Number764694-25-9
PubChem CID2082307
IUPAC NameN-(3-cyanophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
Molecular FormulaC17H14N4O2S
Molecular Weight338.4
XLogP3.2
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity508
SMILES
CC1=C(SC2=NC=NC(=C12)OCC(=O)NC3=CC=CC(=C3)C#N)C
InChI
InChI=1S/C17H14N4O2S/c1-10-11(2)24-17-15(10)16(19-9-20-17)23-8-14(22)21-13-5-3-4-12(6-13)7-18/h3-6,9H,8H2,1-2H3,(H,21,22)
InChIKey
PYESIJQNFOYDTC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-Cyanophenyl)-2-((5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy)acetamide
CAS: 764694-25-9
CID: 2082307
Formula: C17H14N4O2S
MW: 338.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight338.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass338.08374688
Monoisotopic Mass338.08374688
Topological Polar Surface Area116 Ų
Heavy Atom Count24
Formal Charge0
Complexity508
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