Found 44 results

Search term: MF = 'C_{29}H_{30}BrN_{3}O_{4}S'
ChemSpider 2D Image | Bis[3-(3-pyridinyl)propyl] 4-(4-bromo-2-thienyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate | C29H30BrN3O4S

Bis[3-(3-pyridinyl)propyl] 4-(4-bromo-2-thienyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC29H30BrN3O4S
  • Average mass596.535 Da
  • Monoisotopic mass595.114014 Da
  • ChemSpider ID8114154

More details:

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

3,5-Pyridinedicarboxylic acid, 4-(4-bromo-2-thienyl)-1,4-dihydro-2,6-dimethyl-, bis[3-(3-pyridinyl)propyl] ester [ACD/Index Name]
4-(4-Bromo-2-thiényl)-2,6-diméthyl-1,4-dihydro-3,5-pyridinedicarboxylate de bis[3-(3-pyridinyl)propyle] [French] [ACD/IUPAC Name]
Bis[3-(3-pyridinyl)propyl] 4-(4-bromo-2-thienyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Bis[3-(3-pyridinyl)propyl]-4-(4-brom-2-thienyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 733.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 397.3±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 151.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 5277.09
ACD/KOC (pH 5.5): 11717.84
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 15745.19
ACD/KOC (pH 7.4): 34962.38
Polar Surface Area: 119 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 440.0±3.0 cm3

Click to predict properties on the Chemicalize site


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