Vrt752271

C₂₁H₂₂Cl₂N₄O₂CAS 869886-67-9433.33 g/mol

Open in Covalent MOL file

Alcohol Amide Aryl halide Secondary amine

Properties

Molecular formula: C₂₁H₂₂Cl₂N₄O₂
Molar mass: 433.33 g/mol
Exact mass: 432.1120 Da
logP: 4.67Crippen estimate
Polar surface area: 90.0 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

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

869886-67-9

SMILES

CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl

InChIKey

KSERXGMCDHOLSS-LJQANCHMSA-N

InChI

InChI=1S/C21H22Cl2N4O2/c1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t19-/m1/s1

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

Names and synonyms

1 names

Ulixertinib

Work with Vrt752271

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

Elsewhere

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