ChemSpider 2D Image | 2-({2-[(3,4-Difluorophenyl)amino]-2-oxoethyl}amino)-2-oxoethyl 2-acetamido-4,5-dimethoxybenzoate | C21H21F2N3O7

2-({2-[(3,4-Difluorophenyl)amino]-2-oxoethyl}amino)-2-oxoethyl 2-acetamido-4,5-dimethoxybenzoate

  • Molecular FormulaC21H21F2N3O7
  • Average mass465.404 Da
  • Monoisotopic mass465.134766 Da
  • ChemSpider ID33137294

More details:

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

2-({2-[(3,4-Difluorophenyl)amino]-2-oxoethyl}amino)-2-oxoethyl 2-acetamido-4,5-dimethoxybenzoate [ACD/IUPAC Name]
2-({2-[(3,4-Difluorphenyl)amino]-2-oxoethyl}amino)-2-oxoethyl-2-acetamido-4,5-dimethoxybenzoat [German] [ACD/IUPAC Name]
2-Acétamido-4,5-diméthoxybenzoate de 2-({2-[(3,4-difluorophényl)amino]-2-oxoéthyl}amino)-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-(acetylamino)-4,5-dimethoxy-, 2-[[2-[(3,4-difluorophenyl)amino]-2-oxoethyl]amino]-2-oxoethyl ester [ACD/Index 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: 796.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 435.8±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 112.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.57
ACD/KOC (pH 5.5): 225.04
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.56
ACD/KOC (pH 7.4): 225.00
Polar Surface Area: 132 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 333.3±3.0 cm3

Click to predict properties on the Chemicalize site


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