chempirical

Zorifertinib

C22H23ClFN5O3CAS 1626387-80-1459.91 g/mol

Open in Covalent MOL file
NNOONNNHClFO
Aryl halideCarbamateEtherSecondary amineTertiary amine

Properties

Molecular formula
C22H23ClFN5O3
Molar mass
459.91 g/mol
Exact mass
459.1473 Da
logP
4.31Crippen estimate
Polar surface area
79.8 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
1626387-80-1
SMILES
C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C
InChIKey
MXDSJQHFFDGFDK-CYBMUJFWSA-N
InChI
InChI=1S/C22H23ClFN5O3/c1-13-11-28(2)7-8-29(13)22(30)32-19-9-14-17(10-18(19)31-3)25-12-26-21(14)27-16-6-4-5-15(23)20(16)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,25,26,27)/t13-/m1/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Azd 3759

Work with Zorifertinib

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

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