ChemSpider 2D Image | 5-[({3-[2-(2-Ethoxyethoxy)-2-oxoethoxy]-2-pyridinyl}carbamoyl)amino]isophthalic acid | C20H21N3O9

5-[({3-[2-(2-Ethoxyethoxy)-2-oxoethoxy]-2-pyridinyl}carbamoyl)amino]isophthalic acid

  • Molecular FormulaC20H21N3O9
  • Average mass447.395 Da
  • Monoisotopic mass447.127777 Da
  • ChemSpider ID65995370

More details:

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

1,3-Benzenedicarboxylic acid, 5-[[[[3-[2-(2-ethoxyethoxy)-2-oxoethoxy]-2-pyridinyl]amino]carbonyl]amino]- [ACD/Index Name]
5-[({3-[2-(2-Ethoxyethoxy)-2-oxoethoxy]-2-pyridinyl}carbamoyl)amino]isophthalic acid [ACD/IUPAC Name]
5-[({3-[2-(2-Ethoxyethoxy)-2-oxoethoxy]-2-pyridinyl}carbamoyl)amino]isophthalsäure [German] [ACD/IUPAC Name]
Acide 5-[({3-[2-(2-éthoxyéthoxy)-2-oxoéthoxy]-2-pyridinyl}carbamoyl)amino]isophtalique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 620.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 329.3±31.5 °C
Index of Refraction: 1.645
Molar Refractivity: 110.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 1.69
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 71.0±3.0 dyne/cm
Molar Volume: 304.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement