Rabusertib

C₁₈H₂₂BrN₅O₃CAS 911222-45-2436.31 g/mol

Open in Covalent MOL file

Aryl halide Ether Secondary amine Urea

Properties

Molecular formula: C₁₈H₂₂BrN₅O₃
Molar mass: 436.31 g/mol
Exact mass: 435.0906 Da
logP: 2.87Crippen estimate
Polar surface area: 97.4 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 5
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

911222-45-2

SMILES

CC1=CC(=C(C=C1Br)NC(=O)NC2=NC=C(N=C2)C)OC[C@@H]3CNCCO3

InChIKey

SYYBDNPGDKKJDU-ZDUSSCGKSA-N

InChI

InChI=1S/C18H22BrN5O3/c1-11-5-16(27-10-13-8-20-3-4-26-13)15(6-14(11)19)23-18(25)24-17-9-21-12(2)7-22-17/h5-7,9,13,20H,3-4,8,10H2,1-2H3,(H2,22,23,24,25)/t13-/m0/s1

Weigh it out

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

Names and synonyms

1 names

Ly2603618 ic-83

Work with Rabusertib

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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