chempirical

Quizartinib

C29H32N6O4SCAS 950769-58-1560.67 g/mol

Open in Covalent MOL file
NOHNNNSONOHNO
EtherTertiary amine

Properties

Molecular formula
C29H32N6O4S
Molar mass
560.67 g/mol
Exact mass
560.2206 Da
logP
5.28Crippen estimate
Polar surface area
109.4 Ų
H-bond donors / acceptors
2 / 7
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
950769-58-1
SMILES
CC(C)(C)c1cc(=NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)[nH]o1
InChIKey
CVWXJKQAOSCOAB-UHFFFAOYSA-N
InChI
InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)

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

Names and synonyms

5 names
  • Urea, N-[5-(1,1-dimethylethyl)-3-isoxazolyl]-N′-[4-[7-[2-(4-morpholinyl)ethoxy]imidazo[2,1-b]benzothiazol-2-yl]phenyl]-
  • N-[5-(1,1-Dimethylethyl)-3-isoxazolyl]-N′-[4-[7-[2-(4-morpholinyl)ethoxy]imidazo[2,1-b]benzothiazol-2-yl]phenyl]urea
  • N-(5-tert-Butylisoxazol-3-yl)-N′-[4-[7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
  • AC 220
  • AC 010220

Work with Quizartinib

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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