ChemSpider 2D Image | (E)-3-(4-(1H-Imidazol-1-ylmethyl)phenyl)-2-propenyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate | C29H28N4O6

(E)-3-(4-(1H-Imidazol-1-ylmethyl)phenyl)-2-propenyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

  • Molecular FormulaC29H28N4O6
  • Average mass528.556 Da
  • Monoisotopic mass528.200867 Da
  • ChemSpider ID4943589

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]-2-propen-1-yl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
(2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]-2-propen-1-yl-methyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
(E)-3-(4-(1H-Imidazol-1-ylmethyl)phenyl)-2-propenyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
2,6-Diméthyl-4-(3-nitrophényl)-1,4-dihydro-3,5-pyridinedicarboxylate de (2E)-3-[4-(1H-imidazol-1-ylméthyl)phényl]-2-propén-1-yle et de méthyle [French] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2E)-3-[4-(1H-imidazol-1-ylmethyl)phenyl]-2-propen-1-yl methyl ester [ACD/Index Name]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(4-(1H-imidazol-1-ylmethyl)phenyl)-2-propenyl methyl ester, (E)-
123852-99-3 [RN]

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

F 0401 [DBID]
F-0401 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 734.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.1±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 145.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 177.36
ACD/KOC (pH 5.5): 615.28
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2698.08
ACD/KOC (pH 7.4): 9359.72
Polar Surface Area: 128 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 415.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement