ChemSpider 2D Image | 3-[(2,4-Dimethoxybenzyl)amino]-4-(4-pyridinylamino)-3-cyclobutene-1,2-dione | C18H17N3O4

3-[(2,4-Dimethoxybenzyl)amino]-4-(4-pyridinylamino)-3-cyclobutene-1,2-dione

  • Molecular FormulaC18H17N3O4
  • Average mass339.345 Da
  • Monoisotopic mass339.121918 Da
  • ChemSpider ID24808466

More details:

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

3-[(2,4-Dimethoxybenzyl)amino]-4-(4-pyridinylamino)-3-cyclobuten-1,2-dion [German] [ACD/IUPAC Name]
3-[(2,4-Dimethoxybenzyl)amino]-4-(4-pyridinylamino)-3-cyclobutene-1,2-dione [ACD/IUPAC Name]
3-[(2,4-Diméthoxybenzyl)amino]-4-(4-pyridinylamino)-3-cyclobutène-1,2-dione [French] [ACD/IUPAC Name]
3-Cyclobutene-1,2-dione, 3-[[(2,4-dimethoxyphenyl)methyl]amino]-4-(4-pyridinylamino)- [ACD/Index Name]
Kinome_3187

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

Density: 1.3±0.1 g/cm3
Boiling Point: 524.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 271.2±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 90.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.21
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 5.93
ACD/KOC (pH 7.4): 118.46
Polar Surface Area: 90 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 252.4±5.0 cm3

Click to predict properties on the Chemicalize site


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