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Kv3 modulator 4

CAT: 0013-GTR19205757-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205757-01Size:25 mg
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Description
Kv3 modulator 4
CAS Number
2173375-10-3
Field of Research
Pharmacology & Drug Discovery
Smiles
O (C1=C2C3 (CC3) COC2=C (C) C=C1) [C@@H]4C[C@H] (C4) N5C (=O) C (C) (C) NC5=O
Molecular Formula
C20H24N2O4
Molecular Weight
356.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Kv3 modulator 4
CAS Number2173375-10-3
PubChem CID138628611
IUPAC Name5,5-dimethyl-3-[3-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxycyclobutyl]imidazolidine-2,4-dione
Molecular FormulaC20H24N2O4
Molecular Weight356.4
XLogP2.7
Topological Polar Surface Area67.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity638
SMILES
CC1=C2C(=C(C=C1)OC3CC(C3)N4C(=O)C(NC4=O)(C)C)C5(CC5)CO2
InChI
InChI=1S/C20H24N2O4/c1-11-4-5-14(15-16(11)25-10-20(15)6-7-20)26-13-8-12(9-13)22-17(23)19(2,3)21-18(22)24/h4-5,12-13H,6-10H2,1-3H3,(H,21,24)
InChIKey
VHINDDIFNPLNFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kv3 modulator 4
CAS: 2173375-10-3
CID: 138628611
Formula: C20H24N2O4
MW: 356.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass356.17360725
Monoisotopic Mass356.17360725
Topological Polar Surface Area67.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity638
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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