ChemSpider 2D Image | Methyl (~2~H_7_)-2-propanyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate | C19H14D7N3O5

Methyl (2H7)-2-propanyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC19H14D7N3O5
  • Average mass378.430 Da
  • Monoisotopic mass378.192047 Da
  • ChemSpider ID110404773

  • Non-standard isotope - Non-standard isotope

More details:

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

3,5-Pyridinedicarboxylic acid, 4-(2,1,3-benzoxadiazol-4-yl)-1,4-dihydro-2,6-dimethyl-, methyl 1-(methyl-d3)ethyl-1,2,2,2-d4 ester [ACD/Index Name]
4-(2,1,3-Benzoxadiazol-4-yl)-2,6-diméthyl-1,4-dihydro-3,5-pyridinedicarboxylate de méthyle et de (2H7)-2-propanyle [French] [ACD/IUPAC Name]
Methyl (2H7)-2-propanyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Methyl-(2H7)-2-propanyl-4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridindicarboxylat [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: 501.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.4±32.9 °C
Index of Refraction: 1.566
Molar Refractivity: 96.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 416.18
ACD/KOC (pH 5.5): 2608.24
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 416.65
ACD/KOC (pH 7.4): 2611.17
Polar Surface Area: 104 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 297.2±3.0 cm3

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