chempirical

Blu-554

C24H24Cl2N4O4CAS 1707289-21-1503.38 g/mol

Open in Covalent MOL file
OClNNNHOHNOClO
AlkeneAmideAryl halideEtherSecondary amine

Properties

Molecular formula
C24H24Cl2N4O4
Molar mass
503.38 g/mol
Exact mass
502.1175 Da
logP
4.49Crippen estimate
Polar surface area
94.6 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
7
Stereocentres
S, 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
1707289-21-1
SMILES
COC1=CC(=C(C(=C1Cl)C2=CC3=CN=C(N=C3C=C2)N[C@@H]4COCC[C@@H]4NC(=O)C=C)Cl)OC
InChIKey
MGZKYOAQVGSSGC-DLBZAZTESA-N
InChI
InChI=1S/C24H24Cl2N4O4/c1-4-20(31)28-16-7-8-34-12-17(16)30-24-27-11-14-9-13(5-6-15(14)29-24)21-22(25)18(32-2)10-19(33-3)23(21)26/h4-6,9-11,16-17H,1,7-8,12H2,2-3H3,(H,28,31)(H,27,29,30)/t16-,17+/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • Fisogatinib

Work with Blu-554

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

Blu 99311538604-68-057 % similar Wz40021213269-23-831 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook