ChemSpider 2D Image | Ethyl 5-[4-(benzoyloxy)-3-methoxyphenyl]-4-[4-(4-morpholinyl)phenyl]-1-phenyl-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate | C35H34N4O6

Ethyl 5-[4-(benzoyloxy)-3-methoxyphenyl]-4-[4-(4-morpholinyl)phenyl]-1-phenyl-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate

  • Molecular FormulaC35H34N4O6
  • Average mass606.668 Da
  • Monoisotopic mass606.247864 Da
  • ChemSpider ID2546680

More details:

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

1H-1,2,4-Triazole-3-carboxylic acid, 5-[4-(benzoyloxy)-3-methoxyphenyl]-4,5-dihydro-4-[4-(4-morpholinyl)phenyl]-1-phenyl-, ethyl ester [ACD/Index Name]
5-[4-(Benzoyloxy)-3-méthoxyphényl]-4-[4-(4-morpholinyl)phényl]-1-phényl-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-[4-(benzoyloxy)-3-methoxyphenyl]-4-[4-(4-morpholinyl)phenyl]-1-phenyl-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-[4-(benzoyloxy)-3-methoxyphenyl]-4-[4-(4-morpholinyl)phenyl]-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-carboxylat [German] [ACD/IUPAC Name]
4-[3-(ethoxycarbonyl)-4-(4-morpholin-4-ylphenyl)-1-phenyl(1,2,4-triazolin-5-yl)]-2-methoxyphenyl benzoate
ETHYL 3-(4-BENZOYLOXY-3-METHOXYPHENYL)-4-(4-MORPHOLIN-4-YLPHENYL)-2-PHENYL-3H-1,2,4-TRIAZOLE-5-CARBOXYLATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 768.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 418.4±35.7 °C
Index of Refraction: 1.629
Molar Refractivity: 170.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6637.94
ACD/KOC (pH 5.5): 18632.65
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 7027.31
ACD/KOC (pH 7.4): 19725.60
Polar Surface Area: 93 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 479.6±7.0 cm3

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