chempirical

Ebselen

C13H9NOSeCAS 60940-34-3274.19 g/mol

Open in Covalent MOL file
OSeN

Properties

Molecular formula
C13H9NOSe
Molar mass
274.19 g/mol
Exact mass
274.9849 Da
Melting point
181–182 °C
logP
2.05Crippen estimate
Polar surface area
22.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
60940-34-3
SMILES
O=c1c2ccccc2[se]n1-c1ccccc1
InChIKey
DYEFUKCXAQOFHX-UHFFFAOYSA-N
InChI
InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H

Weigh it out

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Names and synonyms

11 names
  • 1,2-Benzisoselenazol-3(2H)-one, 2-phenyl-
  • 2-Phenyl-1,2-benzisoselenazol-3(2H)-one
  • PZ 51
  • 2-Phenyl-1,2-benzoisoselenazol-3(2H)-one
  • NSC 639762
  • Lopac E 3520
  • CCG-39161
  • DR 3305
  • SPI 1005
  • 2-Phenyl-1,2-benzoselenazol-3-one
  • 2-Phenylbenzo[d][1,2]selenazol-3(2H)-one

Work with Ebselen

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

9-Phenylcarbazole1150-62-533 % similar 1-Phenylpyrrole635-90-532 % similar 4,5-Dibromo-2-phenyl-3(2H)-pyridazinone14305-08-930 % similar 4,5-Dichloro-2-phenyl-3(2H)-pyridazinone1698-53-930 % similar Ampyrone83-07-830 % similar 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine28230-32-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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