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NS004

CAT: 0013-GTR19196919-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196919-01Size:25 mg
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Description
NS004
CAS Number
141797-92-4
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C1N (C=2C (=CC (C (F) (F) F) =CC2) N1) C3=C (O) C=CC (Cl) =C3
Molecular Formula
C14H8ClF3N2O2
Molecular Weight
328.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

NS 004

a large conductance calcium-activated potassium channel opener; structure given in first source

CAS Number141797-92-4
PubChem CID5311330
IUPAC Name3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
Molecular FormulaC14H8ClF3N2O2
Molecular Weight328.67
XLogP3.5
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity448
SMILES
C1=CC2=C(C=C1C(F)(F)F)NC(=O)N2C3=C(C=CC(=C3)Cl)O
InChI
InChI=1S/C14H8ClF3N2O2/c15-8-2-4-12(21)11(6-8)20-10-3-1-7(14(16,17)18)5-9(10)19-13(20)22/h1-6,21H,(H,19,22)
InChIKey
WYLYBVMNGZOYOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NS 004
CAS: 141797-92-4
CID: 5311330
Formula: C14H8ClF3N2O2
MW: 328.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.67
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass328.0226397
Monoisotopic Mass328.0226397
Topological Polar Surface Area52.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity448
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

Alternative Products

CatalogName
HY-117931-01NS004

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