ChemSpider 2D Image | Butyl 7-{4-[(3,4-dichlorobenzyl)oxy]-3-ethoxyphenyl}-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate | C26H28Cl2N4O4

Butyl 7-{4-[(3,4-dichlorobenzyl)oxy]-3-ethoxyphenyl}-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

  • Molecular FormulaC26H28Cl2N4O4
  • Average mass531.431 Da
  • Monoisotopic mass530.148743 Da
  • ChemSpider ID12162954

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-4,7-dihydro-5-methyl-, butyl ester [ACD/Index Name]
7-{4-[(3,4-Dichlorobenzyl)oxy]-3-éthoxyphényl}-5-méthyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate de butyle [French] [ACD/IUPAC Name]
Butyl 7-{4-[(3,4-dichlorobenzyl)oxy]-3-ethoxyphenyl}-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Butyl 7-{4-[(3,4-dichlorobenzyl)oxy]-3-ethoxyphenyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Butyl-7-{4-[(3,4-dichlorbenzyl)oxy]-3-ethoxyphenyl}-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: 658.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 352.0±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 139.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 5.90
ACD/BCF (pH 5.5): 17849.30
ACD/KOC (pH 5.5): 38440.10
ACD/LogD (pH 7.4): 5.90
ACD/BCF (pH 7.4): 17865.40
ACD/KOC (pH 7.4): 38474.77
Polar Surface Area: 88 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 394.2±7.0 cm3

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