Wz4002

C₂₅H₂₇ClN₆O₃CAS 1213269-23-8494.98 g/mol

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Alkene Amide Aryl halide Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₂₅H₂₇ClN₆O₃
Molar mass: 494.98 g/mol
Exact mass: 494.1833 Da
logP: 4.55Crippen estimate
Polar surface area: 91.9 Å²
H-bond donors / acceptors: 2 / 8
Rotatable bonds: 8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number

1213269-23-8

SMILES

CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC(=C4)NC(=O)C=C)Cl)OC

InChIKey

ITTRLTNMFYIYPA-UHFFFAOYSA-N

InChI

InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30)

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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