Benzoic acid (2Z)-2-(1-hexyl-1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazide

C₂₁H₂₃N₃O₂CAS 1048973-47-2349.43 g/mol

Open in Covalent MOL file

Amide Imine Lactam

Properties

Molecular formula: C₂₁H₂₃N₃O₂
Molar mass: 349.43 g/mol
Exact mass: 349.1790 Da
logP: 4.32Crippen estimate
Polar surface area: 65.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 7

Identifiers

CAS number

1048973-47-2

SMILES

CCCCCCN1C(=O)/C(=NN=C(O)c2ccccc2)c2ccccc21

InChIKey

ZGQHMZCITJHYOW-QOCHGBHMSA-N

InChI

InChI=1S/C21H23N3O2/c1-2-3-4-10-15-24-18-14-9-8-13-17(18)19(21(24)26)22-23-20(25)16-11-6-5-7-12-16/h5-9,11-14H,2-4,10,15H2,1H3,(H,23,25)/b22-19-

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Names and synonyms

1 names

Benzoic acid, (2Z)-2-(1-hexyl-1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazide

Work with Benzoic acid (2Z)-2-(1-hexyl-1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazide

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

Dibenzoylhydrazine787-84-839 % similar Heptanophenone1671-75-638 % similar Octanophenone1674-37-938 % similar Dodecanophenone1674-38-038 % similar Nonanophenone6008-36-238 % similar Decanophenone6048-82-438 % similar Proglumide6620-60-637 % similar Hexanophenone942-92-736 % similar

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

Same formula

Panobinostat404950-80-7

Elsewhere

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