ChemSpider 2D Image | 1-[(3,3-Diphenylpropanoyl)(methyl)amino]-2-methyl-2-propanyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate | C36H39N3O7

1-[(3,3-Diphenylpropanoyl)(methyl)amino]-2-methyl-2-propanyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC36H39N3O7
  • Average mass625.711 Da
  • Monoisotopic mass625.278809 Da
  • ChemSpider ID9016931

More details:

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

1-[(3,3-Diphenylpropanoyl)(methyl)amino]-2-methyl-2-propanyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
1-[(3,3-Diphenylpropanoyl)(methyl)amino]-2-methyl-2-propanyl-methyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
2,6-Diméthyl-4-(3-nitrophényl)-1,4-dihydro-3,5-pyridinedicarboxylate de 1-[(3,3-diphénylpropanoyl)(méthyl)amino]-2-méthyl-2-propanyle et de méthyle [French] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 1,1-dimethyl-2-[methyl(1-oxo-3,3-diphenylpropyl)amino]ethyl methyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 754.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 409.9±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 172.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.88
ACD/LogD (pH 5.5): 6.55
ACD/BCF (pH 5.5): 56424.99
ACD/KOC (pH 5.5): 87602.08
ACD/LogD (pH 7.4): 6.55
ACD/BCF (pH 7.4): 56501.87
ACD/KOC (pH 7.4): 87721.43
Polar Surface Area: 131 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 516.8±3.0 cm3

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