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Pitavastatin impurity 12 (Standard)

CAT: 0804-HY-21315RSize: 1 EachDry Ice: NoHazardous: No
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Description
Acotiamide Impurity (Standard) is the analytical standard of Acotiamide Impurity. This product is intended for research and analytical applications.
CAS Number
185105-98-0
UNSPSC
12352005
Target
Reference Standards
Related Pathways
Others
Smiles
O=C(C1=CSC(NC(C2=CC(OC)=C(OC)C=C2OC)=O)=N1)OCC
Molecular Formula
C16H18N2O6S
Molecular Weight
366.39
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Ethyl 2-(2,4,5-trimethoxybenzamido)thiazole-4-carboxylate
CAS Number185105-98-0
PubChem CID10215672
IUPAC Nameethyl 2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
Molecular FormulaC16H18N2O6S
Molecular Weight366.4
XLogP2.6
Topological Polar Surface Area124
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity466
SMILES
CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2OC)OC)OC
InChI
InChI=1S/C16H18N2O6S/c1-5-24-15(20)10-8-25-16(17-10)18-14(19)9-6-12(22-3)13(23-4)7-11(9)21-2/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKey
BWDNVLPYCMAUGL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-(2,4,5-trimethoxybenzamido)thiazole-4-carboxylate
CAS: 185105-98-0
CID: 10215672
Formula: C16H18N2O6S
MW: 366.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.4
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass366.08855747
Monoisotopic Mass366.08855747
Topological Polar Surface Area124 Ų
Heavy Atom Count25
Formal Charge0
Complexity466
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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