chempirical

Pyribenzoxim

C32H27N5O8CAS 168088-61-7609.60 g/mol

Open in Covalent MOL file
OONOONOONOONN
EtherOxime

Properties

Molecular formula
C32H27N5O8
Molar mass
609.60 g/mol
Exact mass
609.1860 Da
Melting point
129 °C
logP
5.50Crippen estimate
Polar surface area
145.6 Ų
H-bond donors / acceptors
0 / 13
Rotatable bonds
12

Identifiers

CAS number
168088-61-7
SMILES
COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C(=O)ON=C(c2ccccc2)c2ccccc2)n1
InChIKey
OVXMBIVWNJDDSM-UHFFFAOYSA-N
InChI
InChI=1S/C32H27N5O8/c1-39-24-18-25(40-2)34-31(33-24)43-22-16-11-17-23(44-32-35-26(41-3)19-27(36-32)42-4)28(22)30(38)45-37-29(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-19H,1-4H3

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Names and synonyms

4 names
  • Methanone, diphenyl-, O-[2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoyl]oxime
  • LGC 40863
  • Pyanchor
  • Kiljabi gold

Work with Pyribenzoxim

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

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia