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Avanafil Impurity M

CAT: 1299-RM-A164113-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A164113-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1364671-62-4
Synonyms
4- ((3-chloro-4-methoxybenzyl) amino) -2- (methylthio) -N- (pyrimidin-2-ylmethyl) pyrimidine-5-carboxamide
Molecular Formula
C19H19ClN6O2S
Molecular Weight
430.91
Target Alternative Name
Avanafil
Product Name Synonym
4- ((3-chloro-4-methoxybenzyl) amino) -2- (methylthio) -N- (pyrimidin-2-ylmethyl) pyrimidine-5-carboxamide

Chemical Information

Avanafil impurity 26
CAS Number1364671-62-4
PubChem CID73505986
IUPAC Name4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanyl-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
Molecular FormulaC19H19ClN6O2S
Molecular Weight430.9
XLogP3.1
Topological Polar Surface Area127
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity513
SMILES
COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)SC)Cl
InChI
InChI=1S/C19H19ClN6O2S/c1-28-15-5-4-12(8-14(15)20)9-23-17-13(10-25-19(26-17)29-2)18(27)24-11-16-21-6-3-7-22-16/h3-8,10H,9,11H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKey
BXOLBSYPUBHTRE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Avanafil impurity 26
CAS: 1364671-62-4
CID: 73505986
Formula: C19H19ClN6O2S
MW: 430.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.9
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass430.0978727
Monoisotopic Mass430.0978727
Topological Polar Surface Area127 Ų
Heavy Atom Count29
Formal Charge0
Complexity513
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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