ChemSpider 2D Image | Methyl (2E)-3-phenyl-2-propen-1-yl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate | C25H24N2O6

Methyl (2E)-3-phenyl-2-propen-1-yl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC25H24N2O6
  • Average mass448.468 Da
  • Monoisotopic mass448.163422 Da
  • ChemSpider ID34988515
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4S)-2,6-Diméthyl-4-(3-nitrophényl)-1,4-dihydro-3,5-pyridinedicarboxylate de méthyle et de (2E)-3-phényl-2-propén-1-yle [French] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl (2E)-3-phenyl-2-propen-1-yl ester, (4S)- [ACD/Index Name]
Methyl (2E)-3-phenyl-2-propen-1-yl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Methyl-(2E)-3-phenyl-2-propen-1-yl-(4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
99522-79-9 [RN]
Pranidipine [INN] [Wiki]
UNII-9DES9QVH58

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 618.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.1±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 123.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4770.62
ACD/KOC (pH 5.5): 14946.44
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4777.46
ACD/KOC (pH 7.4): 14967.85
Polar Surface Area: 110 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 357.6±3.0 cm3

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