(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-(1-methylethenyl)-2-propyl-1-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylate

C₂₉H₂₈N₆O₅CAS 879562-26-2540.58 g/mol

Open in Covalent MOL file

Alkene Ester

Properties

Molecular formula: C₂₉H₂₈N₆O₅
Molar mass: 540.58 g/mol
Exact mass: 540.2121 Da
logP: 4.98Crippen estimate
Polar surface area: 141.9 Å²
H-bond donors / acceptors: 1 / 9
Rotatable bonds: 10

Identifiers

CAS number

879562-26-2

SMILES

C=C(C)c1nc(CCC)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1C(=O)OCc1oc(=O)oc1C

InChIKey

PSFJJUXSEHXDFN-UHFFFAOYSA-N

InChI

InChI=1S/C29H28N6O5/c1-5-8-24-30-25(17(2)3)26(28(36)38-16-23-18(4)39-29(37)40-23)35(24)15-19-11-13-20(14-12-19)21-9-6-7-10-22(21)27-31-33-34-32-27/h6-7,9-14H,2,5,8,15-16H2,1,3-4H3,(H,31,32,33,34)

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Names and synonyms

3 names

1H-Imidazole-5-carboxylic acid, 4-(1-methylethenyl)-2-propyl-1-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester
1H-Imidazole-5-carboxylic acid, 4-(1-methylethenyl)-2-propyl-1-[[2′-(1H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-4-(prop-1-en-2-yl)-2-propyl-1H-imidazole-5-carboxylate

Work with (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-(1-methylethenyl)-2-propyl-1-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylate

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

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