ChemSpider 2D Image | 6-(1,3-benzodioxol-5-yl)-N-methyl-N-[(2-methyl-4-thiazolyl)methyl]-4-quinazolinamine | C21H18N4O2S

6-(1,3-benzodioxol-5-yl)-N-methyl-N-[(2-methyl-4-thiazolyl)methyl]-4-quinazolinamine

  • Molecular FormulaC21H18N4O2S
  • Average mass390.458 Da
  • Monoisotopic mass390.115051 Da
  • ChemSpider ID26360700

More details:

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

4-Quinazolinamine, 6-(1,3-benzodioxol-5-yl)-N-methyl-N-[(2-methyl-4-thiazolyl)methyl]- [ACD/Index Name]
6-(1,3-Benzodioxol-5-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-chinazolinamin [German] [ACD/IUPAC Name]
6-(1,3-Benzodioxol-5-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-quinazolinamine [ACD/IUPAC Name]
6-(1,3-Benzodioxol-5-yl)-N-méthyl-N-[(2-méthyl-1,3-thiazol-4-yl)méthyl]-4-quinazolinamine [French] [ACD/IUPAC Name]
6-(1,3-benzodioxol-5-yl)-N-methyl-N-[(2-methyl-4-thiazolyl)methyl]-4-quinazolinamine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 570.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 298.6±30.1 °C
Index of Refraction: 1.711
Molar Refractivity: 111.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 45.32
ACD/KOC (pH 5.5): 274.93
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 416.76
ACD/KOC (pH 7.4): 2528.46
Polar Surface Area: 89 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 68.4±3.0 dyne/cm
Molar Volume: 284.1±3.0 cm3

Click to predict properties on the Chemicalize site


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