ChemSpider 2D Image | Octyl 5-methyl-7-(2,3,4-trimethoxyphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate | C23H33N5O5

Octyl 5-methyl-7-(2,3,4-trimethoxyphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate

  • Molecular FormulaC23H33N5O5
  • Average mass459.539 Da
  • Monoisotopic mass459.248169 Da
  • ChemSpider ID22495584

More details:

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

5-Méthyl-7-(2,3,4-triméthoxyphényl)-1,7-dihydrotétrazolo[1,5-a]pyrimidine-6-carboxylate d'octyle [French] [ACD/IUPAC Name]
Octyl 5-methyl-7-(2,3,4-trimethoxyphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Octyl-5-methyl-7-(2,3,4-trimethoxyphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
Tetrazolo[1,5-a]pyrimidine-6-carboxylic acid, 4,7-dihydro-5-methyl-7-(2,3,4-trimethoxyphenyl)-, octyl ester [ACD/Index 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: 575.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 301.9±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 122.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2795.52
ACD/KOC (pH 5.5): 10199.29
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2795.58
ACD/KOC (pH 7.4): 10199.53
Polar Surface Area: 110 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 365.5±7.0 cm3

Click to predict properties on the Chemicalize site


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