chempirical

Agerafenib

C24H22F3N5O5CAS 1188910-76-0517.47 g/mol

Open in Covalent MOL file
NOHNONHONNOOFFF
Alkyl halideEtherUrea

Properties

Molecular formula
C24H22F3N5O5
Molar mass
517.47 g/mol
Exact mass
517.1573 Da
logP
5.91Crippen estimate
Polar surface area
120.6 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
7

Identifiers

CAS number
1188910-76-0
SMILES
CC(C)(C1=CC(=NO1)NC(=O)NC2=CC(=CC=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)C(F)(F)F
InChIKey
DKNUPRMJNUQNHR-UHFFFAOYSA-N
InChI
InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)

Weigh it out

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

Names and synonyms

1 names
  • Cep-32496 (free base)

Work with Agerafenib

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

N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine153436-53-434 % similar 4-(3-Bromophenylamino)-6,7-dimethoxyquinazoline153436-54-533 % similar Cabozantinib849217-68-132 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook