ChemSpider 2D Image | 3-[(2,4-Dichlorobenzyl)amino]-4-[1H-indazol-5-yl(methyl)amino]-3-cyclobutene-1,2-dione | C19H14Cl2N4O2

3-[(2,4-Dichlorobenzyl)amino]-4-[1H-indazol-5-yl(methyl)amino]-3-cyclobutene-1,2-dione

  • Molecular FormulaC19H14Cl2N4O2
  • Average mass401.246 Da
  • Monoisotopic mass400.049377 Da
  • ChemSpider ID24808855

More details:

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

3-[(2,4-Dichlorbenzyl)amino]-4-[1H-indazol-5-yl(methyl)amino]-3-cyclobuten-1,2-dion [German] [ACD/IUPAC Name]
3-[(2,4-Dichlorobenzyl)amino]-4-[1H-indazol-5-yl(methyl)amino]-3-cyclobutene-1,2-dione [ACD/IUPAC Name]
3-[(2,4-Dichlorobenzyl)amino]-4-[1H-indazol-5-yl(méthyl)amino]-3-cyclobutène-1,2-dione [French] [ACD/IUPAC Name]
3-Cyclobutene-1,2-dione, 3-[[(2,4-dichlorophenyl)methyl]amino]-4-(1H-indazol-5-ylmethylamino)- [ACD/Index Name]
Kinome_1339

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

Density: 1.6±0.1 g/cm3
Boiling Point: 590.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 310.9±32.9 °C
Index of Refraction: 1.732
Molar Refractivity: 103.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 198.49
ACD/KOC (pH 5.5): 1535.76
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 198.50
ACD/KOC (pH 7.4): 1535.82
Polar Surface Area: 78 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 78.7±5.0 dyne/cm
Molar Volume: 258.4±5.0 cm3

Click to predict properties on the Chemicalize site


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