chempirical

Jak3-in-6

C19H18N4O3CAS 1443235-95-7350.38 g/mol

Open in Covalent MOL file
OOHNNNNHO
AlkeneAmideEster

Properties

Molecular formula
C19H18N4O3
Molar mass
350.38 g/mol
Exact mass
350.1379 Da
logP
3.32Crippen estimate
Polar surface area
97.0 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5

Identifiers

CAS number
1443235-95-7
SMILES
CCOC(=O)C1=CNC2=NC=NC(=C12)C3=CC(=CC=C3)NC(=O)C(=C)C
InChIKey
NJPHKVOXHRAPGJ-UHFFFAOYSA-N
InChI
InChI=1S/C19H18N4O3/c1-4-26-19(25)14-9-20-17-15(14)16(21-10-22-17)12-6-5-7-13(8-12)23-18(24)11(2)3/h5-10H,2,4H2,1,3H3,(H,23,24)(H,20,21,22)

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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

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

Same formula

6-Nitro-3-[(1E)-2-(2-pyridinyl)ethenyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole886230-75-7

Elsewhere

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