chempirical

Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2′-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylate

C45H44N6O3CAS 144690-33-5716.89 g/mol

Open in Covalent MOL file
NOHOONNNNN
AlcoholEster

Properties

Molecular formula
C45H44N6O3
Molar mass
716.89 g/mol
Exact mass
716.3475 Da
Melting point
161 °C
logP
8.45Crippen estimate
Polar surface area
108.0 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
13

Identifiers

CAS number
144690-33-5
SMILES
CCCc1nc(C(C)(C)O)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIKey
TZQDBKJBKJIHPR-UHFFFAOYSA-N
InChI
InChI=1S/C45H44N6O3/c1-5-18-39-46-41(44(3,4)53)40(43(52)54-6-2)50(39)31-32-27-29-33(30-28-32)37-25-16-17-26-38(37)42-47-48-49-51(42)45(34-19-10-7-11-20-34,35-21-12-8-13-22-35)36-23-14-9-15-24-36/h7-17,19-30,53H,5-6,18,31H2,1-4H3

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Names and synonyms

3 names
  • 1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2′-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-, ethyl ester
  • Tritylolmesartan ethyl ester
  • Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[4-[2-(trityltetrazol-5-yl)phenyl]phenyl]methylimidazole-5-carboxylate

Work with Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2′-[1-(triphenylmethyl)-1H-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

Similar compounds

Tritylolmesartan medoxomil144690-92-676 % similar Olmesartan dimer ester impurity1040250-19-852 % similar Olmesartan medoxomil144689-63-452 % similar Olmesartan144689-24-752 % similar 5-[4′-(Bromomethyl)[1,1′-biphenyl]-2-yl]-1-(triphenylmethyl)-1H-tetrazole124750-51-244 % similar 2-Butyl-3-[[2′-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one138402-10-543 % similar 2-Butyl-4-chloro-1-[[2′-[2-(triphenylmethyl)-2H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-1H-imidazole-5-methanol133909-99-637 % similar (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-carboxylate879562-26-237 % similar

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

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