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Kv3 modulator 3

CAT: 0926-YJC18601-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-YJC18601-01Size:5 mg
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CAS Number
1498186-01-8
Smiles
CC1=C2C (=C (C=C1) OC3=NC=C (C=C3) N4C (=NNC4=O) C) C5 (CC5) CO2
Molecular Formula
C19H18N4O3
Molecular Weight
350.4 g/mol
Controlled
No

Chemical Information

Kv3 modulator 3
CAS Number1498186-01-8
PubChem CID90023284
IUPAC Name3-methyl-4-[6-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxy-3-pyridinyl]-1H-1,2,4-triazol-5-one
Molecular FormulaC19H18N4O3
Molecular Weight350.4
XLogP2.4
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity620
SMILES
CC1=C2C(=C(C=C1)OC3=NC=C(C=C3)N4C(=NNC4=O)C)C5(CC5)CO2
InChI
InChI=1S/C19H18N4O3/c1-11-3-5-14(16-17(11)25-10-19(16)7-8-19)26-15-6-4-13(9-20-15)23-12(2)21-22-18(23)24/h3-6,9H,7-8,10H2,1-2H3,(H,22,24)
InChIKey
SXVVXFKHWPURFB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kv3 modulator 3
CAS: 1498186-01-8
CID: 90023284
Formula: C19H18N4O3
MW: 350.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.4
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass350.13789045
Monoisotopic Mass350.13789045
Topological Polar Surface Area76.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity620
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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