5-[[[(2,4-Difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylic acid methyl ester

C₂₆H₂₆F₂N₂O₇CAS 1229006-21-6516.50 g/mol

Open in Covalent MOL file

Acetal Amide Aryl halide Ester Ether

Properties

Molecular formula: C₂₆H₂₆F₂N₂O₇
Molar mass: 516.50 g/mol
Exact mass: 516.1708 Da
logP: 3.04Crippen estimate
Polar surface area: 105.1 Å²
H-bond donors / acceptors: 1 / 7
Rotatable bonds: 11

Identifiers

CAS number

1229006-21-6

SMILES

COC(CN1C=C(C(=O)C(=C1C(=O)OC)OCC2=CC=CC=C2)C(=O)NCC3=C(C=C(C=C3)F)F)OC

InChIKey

MKGWUEHHJABKDI-UHFFFAOYSA-N

InChI

InChI=1S/C26H26F2N2O7/c1-34-21(35-2)14-30-13-19(25(32)29-12-17-9-10-18(27)11-20(17)28)23(31)24(22(30)26(33)36-3)37-15-16-7-5-4-6-8-16/h4-11,13,21H,12,14-15H2,1-3H3,(H,29,32)

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Similar compounds

Dolutegravir sodium1051375-19-948 % similar Methyl 1-(2,3-dihydroxypropyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylate1206102-07-939 % similar Dimethyl 3-(benzyloxy)-4-oxo-4H-pyran-2,5-1246616-66-939 % similar Cabotegravir1051375-10-036 % similar Dolutegravir1051375-16-635 % similar Nequinate13997-19-834 % similar Methyl 2,4-difluorobenzoate106614-28-234 % similar

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

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