ChemSpider 2D Image | (1S)-1-{[(Cyclohexyloxy)carbonyl]oxy}ethyl 2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-benzimidazole-7-carboxylate | C33H34N6O6

(1S)-1-{[(Cyclohexyloxy)carbonyl]oxy}ethyl 2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-benzimidazole-7-carboxylate

  • Molecular FormulaC33H34N6O6
  • Average mass610.660 Da
  • Monoisotopic mass610.253967 Da
  • ChemSpider ID21173695
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S)-1-{[(Cyclohexyloxy)carbonyl]oxy}ethyl 2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-benzimidazole-7-carboxylate [ACD/IUPAC Name]
(1S)-1-{[(Cyclohexyloxy)carbonyl]oxy}ethyl-2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-benzimidazol-7-carboxylat [German] [ACD/IUPAC Name]
1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, (1S)-1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester [ACD/Index Name]
1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, (1S)-1-[[(cyclohexyloxy)carbonyl]oxy]ethyl ester [ACD/Index Name]
2-Éthoxy-1-{[2'-(1H-tétrazol-5-yl)-4-biphénylyl]méthyl}-1H-benzimidazole-7-carboxylate de (1S)-1-{[(cyclohexyloxy)carbonyl]oxy}éthyle [French] [ACD/IUPAC Name]
145040-37-5 [RN]
Candesartan cilexetil [JAN] [USAN]
UNII-R85M2X0D68

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 843.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.5±3.0 kJ/mol
Flash Point: 463.8±37.1 °C
Index of Refraction: 1.667
Molar Refractivity: 165.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 1027.59
ACD/KOC (pH 5.5): 2250.12
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 180.23
ACD/KOC (pH 7.4): 394.66
Polar Surface Area: 143 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 444.7±7.0 cm3

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