Ziritaxestat

C₃₀H₃₃FN₈O₂SCAS 1628260-79-6588.71 g/mol

Open in Covalent MOL file

Alcohol Amide Aryl halide Nitrile Tertiary amine

Properties

Molecular formula: C₃₀H₃₃FN₈O₂S
Molar mass: 588.71 g/mol
Exact mass: 588.2431 Da
logP: 3.43Crippen estimate
Polar surface area: 104.2 Å²
H-bond donors / acceptors: 1 / 9
Rotatable bonds: 7

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

1628260-79-6

SMILES

CCC1=C(N2C=C(C=C(C2=N1)C)N3CCN(CC3)CC(=O)N4CC(C4)O)N(C)C5=NC(=C(S5)C#N)C6=CC=C(C=C6)F

InChIKey

REQQVBGILUTQNN-UHFFFAOYSA-N

InChI

InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3

Weigh it out

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Names and synonyms

1 names

Glpg-1690

Work with Ziritaxestat

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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