ChemSpider 2D Image | Cyclohexyl 7-[4-(benzyloxy)-3-methoxyphenyl]-2-(benzylsulfanyl)-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate | C34H36N4O4S

Cyclohexyl 7-[4-(benzyloxy)-3-methoxyphenyl]-2-(benzylsulfanyl)-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

  • Molecular FormulaC34H36N4O4S
  • Average mass596.739 Da
  • Monoisotopic mass596.245728 Da
  • ChemSpider ID12189737

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 4,7-dihydro-7-[3-methoxy-4-(phenylmethoxy)phenyl]-5-methyl-2-[(phenylmethyl)thio]-, cyclohexyl ester [ACD/Index Name]
7-[4-(Benzyloxy)-3-méthoxyphényl]-2-(benzylsulfanyl)-5-méthyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate de cyclohexyle [French] [ACD/IUPAC Name]
Cyclohexyl 7-[4-(benzyloxy)-3-methoxyphenyl]-2-(benzylsulfanyl)-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Cyclohexyl 7-[4-(benzyloxy)-3-methoxyphenyl]-2-(benzylsulfanyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Cyclohexyl-7-[4-(benzyloxy)-3-methoxyphenyl]-2-(benzylsulfanyl)-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 754.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 409.9±35.7 °C
Index of Refraction: 1.655
Molar Refractivity: 169.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.58
ACD/LogD (pH 5.5): 7.53
ACD/BCF (pH 5.5): 311804.00
ACD/KOC (pH 5.5): 297910.81
ACD/LogD (pH 7.4): 7.53
ACD/BCF (pH 7.4): 311824.22
ACD/KOC (pH 7.4): 297930.13
Polar Surface Area: 113 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 462.2±7.0 cm3

Click to predict properties on the Chemicalize site


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