Tws119

C₁₈H₁₄N₄O₂CAS 601514-19-6318.34 g/mol

Open in Covalent MOL file

Ether Phenol Primary amine

Properties

Molecular formula: C₁₈H₁₄N₄O₂
Molar mass: 318.34 g/mol
Exact mass: 318.1117 Da
logP: 3.71Crippen estimate
Polar surface area: 97.1 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed97.4% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

601514-19-6

SMILES

C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O

InChIKey

VPVLEBIVXZSOMQ-UHFFFAOYSA-N

InChI

InChI=1S/C18H14N4O2/c19-12-4-1-3-11(7-12)16-9-15-17(22-16)20-10-21-18(15)24-14-6-2-5-13(23)8-14/h1-10,23H,19H2,(H,20,21,22)

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Names and synonyms

1 names

Gsk-3beta inhibitor xii

Work with Tws119

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

3-Phenoxyphenol713-68-838 % similar 3-Aminophenol591-27-538 % similar 3-Phenoxybenzenamine3586-12-735 % similar m-Aminophenol hydrochloride51-81-035 % similar 3,3′-Oxydianiline15268-07-235 % similar 3,4′-Diaminodiphenyl ether2657-87-635 % similar 3,3′-[1,3-Phenylenebis(oxy)]bis[benzenamine]10526-07-534 % similar 4,4′-[1,3-Phenylenebis(oxy)]bis[benzenamine]2479-46-131 % similar

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

Elsewhere

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