Azd-5069

C₁₈H₂₂F₂N₄O₅S₂CAS 878385-84-3476.51 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether Sulfide

Properties

Molecular formula: C₁₈H₂₂F₂N₄O₅S₂
Molar mass: 476.51 g/mol
Exact mass: 476.1000 Da
logP: 1.53Crippen estimate
Polar surface area: 124.9 Å²
H-bond donors / acceptors: 3 / 8
Rotatable bonds: 10
Stereocentres: R, Sin SMILES atom order

Hazards

Warning

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

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P319, P501

Identifiers

CAS number

878385-84-3

SMILES

C[C@H]([C@H](CO)O)OC1=NC(=NC(=C1)NS(=O)(=O)N2CCC2)SCC3=C(C(=CC=C3)F)F

InChIKey

QZECRCLSIGFCIO-RISCZKNCSA-N

InChI

InChI=1S/C18H22F2N4O5S2/c1-11(14(26)9-25)29-16-8-15(23-31(27,28)24-6-3-7-24)21-18(22-16)30-10-12-4-2-5-13(19)17(12)20/h2,4-5,8,11,14,25-26H,3,6-7,9-10H2,1H3,(H,21,22,23)/t11-,14+/m1/s1

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Elsewhere

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