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Kv3 modulator 2

CAT: 0926-BJD32176-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-BJD32176-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2101321-76-8
Smiles
CCC1C (=O) N (C (=O) N1) C2=NC=C (C=C2) OC3=C4C (=C (C=C3) C) OCC45CC5
Molecular Formula
C21H21N3O4
Molecular Weight
379.4 g/mol
Controlled
No

Chemical Information

Kv3 modulator 2
CAS Number2101321-76-8
PubChem CID135142328
IUPAC Name(5R)-5-ethyl-3-[5-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxy-2-pyridinyl]imidazolidine-2,4-dione
Molecular FormulaC21H21N3O4
Molecular Weight379.4
XLogP3.1
Topological Polar Surface Area80.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity652
SMILES
CC[C@@H]1C(=O)N(C(=O)N1)C2=NC=C(C=C2)OC3=C4C(=C(C=C3)C)OCC45CC5
InChI
InChI=1S/C21H21N3O4/c1-3-14-19(25)24(20(26)23-14)16-7-5-13(10-22-16)28-15-6-4-12(2)18-17(15)21(8-9-21)11-27-18/h4-7,10,14H,3,8-9,11H2,1-2H3,(H,23,26)/t14-/m1/s1
InChIKey
QRZXUERLZJGJMH-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of Kv3 modulator 2
CAS: 2101321-76-8
CID: 135142328
Formula: C21H21N3O4
MW: 379.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass379.15320616
Monoisotopic Mass379.15320616
Topological Polar Surface Area80.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity652
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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