Selonsertib

C₂₄H₂₄FN₇OCAS 1448428-04-3445.50 g/mol

Open in Covalent MOL file

Amide Aryl halide

Properties

Molecular formula: C₂₄H₂₄FN₇O
Molar mass: 445.50 g/mol
Exact mass: 445.2026 Da
logP: 4.68Crippen estimate
Polar surface area: 90.5 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 6

Hazards

Warning

H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P319, P501

Identifiers

CAS number

1448428-04-3

SMILES

CC1=CC(=C(C=C1N2C=C(N=C2)C3CC3)C(=O)NC4=CC=CC(=N4)C5=NN=CN5C(C)C)F

InChIKey

YIDDLAAKOYYGJG-UHFFFAOYSA-N

InChI

InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33)

Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+

[M + H]+ Calcd for C24H25FN7O 446.2099

[M + Na]+

[M + Na]+ Calcd for C24H24FN7NaO 468.1919

[M − H]−

[M − H]− Calcd for C24H23FN7O 444.1954

Elemental analysis

Anal. Calcd for C24H24FN7O: C, 64.71; H, 5.43; N, 22.01.

Weigh it out

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

Work with Selonsertib

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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