ChemSpider 2D Image | 2-Methoxyethyl (2E)-3-phenyl-2-propen-1-yl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate | C27H28N2O7

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

  • Molecular FormulaC27H28N2O7
  • Average mass492.520 Da
  • Monoisotopic mass492.189636 Da
  • ChemSpider ID21178909

  • 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 2-méthoxyéthyle et de (2E)-3-phényl-2-propén-1-yle [French] [ACD/IUPAC Name]
2-Methoxyethyl (2E)-3-phenyl-2-propen-1-yl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
2-Methoxyethyl-(2E)-3-phenyl-2-propen-1-yl-(4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-methoxyethyl (2E)-3-phenyl-2-propen-1-yl ester, (4S)- [ACD/Index Name]
132203-70-4 [RN]
Cilnidipine [INN] [JAN] [USAN] [Wiki]
UNII-97T5AZ1JIP

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

Density: 1.2±0.1 g/cm3
Boiling Point: 652.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.5±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 134.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5666.20
ACD/KOC (pH 5.5): 16906.01
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5673.35
ACD/KOC (pH 7.4): 16927.33
Polar Surface Area: 120 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 397.0±3.0 cm3

Click to predict properties on the Chemicalize site


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