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Flaviviruses-IN-3

CAT: 0607-BA2314-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2314-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
420090-97-7
Form
A solid
Molecular Formula
C26H23N3O4S
Molecular Weight
473.54
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Flaviviruses-IN-3
CAS Number420090-97-7
PubChem CID1358755
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
Molecular FormulaC26H23N3O4S
Molecular Weight473.5
XLogP4.2
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity810
SMILES
CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC(=O)C
InChI
InChI=1S/C26H23N3O4S/c1-3-18-8-10-19(11-9-18)25-16-23(22-6-4-5-7-24(22)28-25)26(31)27-20-12-14-21(15-13-20)34(32,33)29-17(2)30/h4-16H,3H2,1-2H3,(H,27,31)(H,29,30)
InChIKey
BFDIEQUQKQXLAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Flaviviruses-IN-3
CAS: 420090-97-7
CID: 1358755
Formula: C26H23N3O4S
MW: 473.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.5
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass473.14092740
Monoisotopic Mass473.14092740
Topological Polar Surface Area114 Ų
Heavy Atom Count34
Formal Charge0
Complexity810
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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