ChemSpider 2D Image | Dimethyl 4-{3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate | C32H37N3O5

Dimethyl 4-{3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC32H37N3O5
  • Average mass543.653 Da
  • Monoisotopic mass543.273315 Da
  • ChemSpider ID3377412

More details:

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

3,5-Pyridinedicarboxylic acid, 4-[3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, dimethyl ester [ACD/Index Name]
4-{3-[4-(Hexyloxy)phényl]-1-phényl-1H-pyrazol-4-yl}-2,6-diméthyl-1,4-dihydro-3,5-pyridinedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 4-{3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Dimethyl-4-{3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2,6-dimethyl-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
3,5-dimethyl 4-{3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
957045-50-0 [RN]
dimethyl 4-(3-(4-(hexyloxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-{3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
methyl 4-[3-(4-hexyloxyphenyl)-1-phenylpyrazol-4-yl]-5-(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 667.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.4±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 154.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 7.50
ACD/BCF (pH 5.5): 296620.94
ACD/KOC (pH 5.5): 287294.81
ACD/LogD (pH 7.4): 7.50
ACD/BCF (pH 7.4): 297210.03
ACD/KOC (pH 7.4): 287865.38
Polar Surface Area: 92 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 41.7±7.0 dyne/cm
Molar Volume: 462.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement