ChemSpider 2D Image | MFCD03088693 | C32H31N3O4

MFCD03088693

  • Molecular FormulaC32H31N3O4
  • Average mass521.606 Da
  • Monoisotopic mass521.231445 Da
  • ChemSpider ID2656382

More details:

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

2,6-Diméthyl-4-[3-(2-naphtyl)-1-phényl-1H-pyrazol-4-yl]-1,4-dihydro-3,5-pyridinedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-[3-(2-naphthalenyl)-1-phenyl-1H-pyrazol-4-yl]-, diethyl ester [ACD/Index Name]
Diethyl 2,6-dimethyl-4-[3-(2-naphthyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Diethyl 2,6-dimethyl-4-[3-(2-naphthyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Diethyl-2,6-dimethyl-4-[3-(2-naphthyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
MFCD03088693
1007524-01-7 [RN]
3,5-diethyl 2,6-dimethyl-4-[3-(naphthalen-2-yl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
diethyl 2,6-dimethyl-4-(3-(naphthalen-2-yl)-1-phenyl-1H-pyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
diethyl 2,6-dimethyl-4-[3-(naphthalen-2-yl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 671.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.9±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 151.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.58
ACD/LogD (pH 5.5): 6.50
ACD/BCF (pH 5.5): 51120.07
ACD/KOC (pH 5.5): 81590.70
ACD/LogD (pH 7.4): 6.50
ACD/BCF (pH 7.4): 51263.91
ACD/KOC (pH 7.4): 81820.27
Polar Surface Area: 82 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 428.7±7.0 cm3

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