chempirical

Jtc-801

C26H26ClN3O2CAS 244218-51-7447.96 g/mol

Open in Covalent MOL file
OOHNNH2NHCl
AmideEtherPrimary amine

Properties

Molecular formula
C26H26ClN3O2
Molar mass
447.96 g/mol
Exact mass
447.1714 Da
logP
5.94Crippen estimate
Polar surface area
77.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
244218-51-7
SMILES
CCC1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)NC3=CC4=C(C=C(N=C4C=C3)C)N.Cl
InChIKey
NQLIYKXNAXKMBL-UHFFFAOYSA-N
InChI
InChI=1S/C26H25N3O2.ClH/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25;/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30);1H

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Names and synonyms

1 names
  • Jtc 801

Work with Jtc-801

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

(p-Benzyloxyphenyl)hydrazine hydrochloride52068-30-134 % similar 4'-Ethoxy-3-hydroxy-2-naphthanilide4711-68-633 % similar 4-Ethylphenylhydrazine hydrochloride53661-18-033 % similar 4-Benzyloxybenzhydrazide128958-65-630 % similar

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

Elsewhere

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