ChemSpider 2D Image | 6-(1,3-Benzodioxol-5-yl)-N-[(4-methyl-2-thienyl)methyl]-4-quinazolinamine | C21H17N3O2S

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

  • Molecular FormulaC21H17N3O2S
  • Average mass375.444 Da
  • Monoisotopic mass375.104156 Da
  • ChemSpider ID24630173

More details:

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

4-Quinazolinamine, 6-(1,3-benzodioxol-5-yl)-N-[(4-methyl-2-thienyl)methyl]- [ACD/Index Name]
6-(1,3-Benzodioxol-5-yl)-N-[(4-methyl-2-thienyl)methyl]-4-chinazolinamin [German] [ACD/IUPAC Name]
6-(1,3-Benzodioxol-5-yl)-N-[(4-methyl-2-thienyl)methyl]-4-quinazolinamine [ACD/IUPAC Name]
6-(1,3-Benzodioxol-5-yl)-N-[(4-méthyl-2-thiényl)méthyl]-4-quinazolinamine [French] [ACD/IUPAC Name]
6-(1,3-benzodioxol-5-yl)-N-[(4-methyl-2-thiophenyl)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: 567.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 296.9±30.1 °C
Index of Refraction: 1.727
Molar Refractivity: 108.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 565.66
ACD/KOC (pH 5.5): 2351.46
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1720.03
ACD/KOC (pH 7.4): 7150.18
Polar Surface Area: 85 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 67.2±3.0 dyne/cm
Molar Volume: 272.4±3.0 cm3

Click to predict properties on the Chemicalize site


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