chempirical

Chiguard 5530

C40H44N6O6CAS 104810-47-1704.83 g/mol

Open in Covalent MOL file
OOOONNNHONNNOH
EsterPhenol

Properties

Molecular formula
C40H44N6O6
Molar mass
704.83 g/mol
Exact mass
704.3322 Da
logP
6.81Crippen estimate
Polar surface area
154.5 Ų
H-bond donors / acceptors
2 / 10
Rotatable bonds
11

Identifiers

CAS number
104810-47-1
SMILES
CC(C)(C)c1cc(CCC(=O)OCCOC(=O)CCc2cc(-n3nc4ccccc4n3)c(O)c(C(C)(C)C)c2)cc(-n2nc3ccccc3n2)c1O
InChIKey
WITVVAMVOACPCX-UHFFFAOYSA-N
InChI
InChI=1S/C40H44N6O6/c1-39(2,3)27-21-25(23-33(37(27)49)45-41-29-11-7-8-12-30(29)42-45)15-17-35(47)51-19-20-52-36(48)18-16-26-22-28(40(4,5)6)38(50)34(24-26)46-43-31-13-9-10-14-32(31)44-46/h7-14,21-24,49-50H,15-20H2,1-6H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Poly(oxy-1,2-ethanediyl), α-[3-[3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]-ω-[3-[3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]-
  • α-3-[3-(2H-Benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl-ω-[3-[3-(2H-benzotriazol-2-yl)-5-1,1-dimethylethyl]-4-hydroxyphenyl]-1-oxopropylpoly(oxy-1,2-ethanediyl)
  • α-[3-[3-(2H-Benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]-ω-[3-[3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]poly(oxy-1,2-ethanediyl)
  • T 1130

Work with Chiguard 5530

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

α-[3-[3-(2H-Benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]-ω-hydroxypoly(oxy-1,2-ethanediyl)104810-48-289 % similar Thiodiethylene bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)41484-35-959 % similar Antioxidant 24536443-68-259 % similar Pentaerythritol tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)6683-19-856 % similar Antioxidant 10762082-79-356 % similar 2,2′-Oxamidobis[ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]70331-94-156 % similar 2-(2′-Hydroxy-3′5-di-tert-butylphenyl) benzotriazole3846-71-756 % similar Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate6386-38-553 % similar

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

Elsewhere

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