ChemSpider 2D Image | Diethyl 5-{[({2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]acryloyl}oxy)acetyl]amino}isophthalate | C29H35N3O7

Diethyl 5-{[({2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]acryloyl}oxy)acetyl]amino}isophthalate

  • Molecular FormulaC29H35N3O7
  • Average mass537.604 Da
  • Monoisotopic mass537.247498 Da
  • ChemSpider ID2839384

More details:

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

1,3-Benzenedicarboxylic acid, 5-[[2-[[2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]-1-oxo-2-propen-1-yl]oxy]acetyl]amino]-, diethyl ester [ACD/Index Name]
5-{[2-({2-Cyano-3-[2,5-diméthyl-1-(3-méthylbutyl)-1H-pyrrol-3-yl]acryloyl}oxy)acétyl]amino}isophtalate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 5-{[({2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]acryloyl}oxy)acetyl]amino}isophthalate [ACD/IUPAC Name]
Diethyl-5-{[({2-cyan-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]acryloyl}oxy)acetyl]amino}isophthalat [German] [ACD/IUPAC 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: 717.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.5±32.9 °C
Index of Refraction: 1.554
Molar Refractivity: 146.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 7.08
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 14107.94
ACD/KOC (pH 5.5): 32491.82
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 14106.69
ACD/KOC (pH 7.4): 32488.93
Polar Surface Area: 137 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 457.3±7.0 cm3

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