ChemSpider 2D Image | 5-(2-{2-[1-(3,4-Dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethoxy}benzoyl)-1-(2-methoxyethyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile | C32H31N3O5

5-(2-{2-[1-(3,4-Dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethoxy}benzoyl)-1-(2-methoxyethyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

  • Molecular FormulaC32H31N3O5
  • Average mass537.606 Da
  • Monoisotopic mass537.226379 Da
  • ChemSpider ID1595188

More details:






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

3-Pyridinecarbonitrile, 5-[2-[2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethoxy]benzoyl]-1,2-dihydro-1-(2-methoxyethyl)-2-oxo- [ACD/Index Name]
5-(2-{2-[1-(3,4-Dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethoxy}benzoyl)-1-(2-methoxyethyl)-2-oxo-1,2-dihydro-3-pyridincarbonitril [German] [ACD/IUPAC Name]
5-(2-{2-[1-(3,4-Dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethoxy}benzoyl)-1-(2-methoxyethyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile [ACD/IUPAC Name]
5-(2-{2-[1-(3,4-Diméthylphényl)-2,5-diméthyl-1H-pyrrol-3-yl]-2-oxoéthoxy}benzoyl)-1-(2-méthoxyéthyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile [French] [ACD/IUPAC Name]

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

ZINC02664321 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 727.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.9±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 154.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1356.80
ACD/KOC (pH 5.5): 6079.29
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1356.80
ACD/KOC (pH 7.4): 6079.29
Polar Surface Area: 102 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 451.7±7.0 cm3

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