ChemSpider 2D Image | 7-[5,6-Dimethoxy-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]-2,4-quinazolinediamine | C20H17N7O2S

7-[5,6-Dimethoxy-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]-2,4-quinazolinediamine

  • Molecular FormulaC20H17N7O2S
  • Average mass419.460 Da
  • Monoisotopic mass419.116455 Da
  • ChemSpider ID31133393

More details:

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

2,4-Quinazolinediamine, 7-[5,6-dimethoxy-2-(2-thiazolyl)-1H-benzimidazol-1-yl]- [ACD/Index Name]
7-[5,6-Dimethoxy-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]-2,4-chinazolindiamin [German] [ACD/IUPAC Name]
7-[5,6-Dimethoxy-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]-2,4-quinazolinediamine [ACD/IUPAC Name]
7-[5,6-Diméthoxy-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]-2,4-quinazolinediamine [French] [ACD/IUPAC Name]
7-[5,6-Dimethoxy-2-(1,3-Thiazol-2-Yl)-1h-Benzimidazol-1-Yl]quinazoline-2,4-Diamine
1DN

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

Density: 1.6±0.1 g/cm3
Boiling Point: 771.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 420.1±35.7 °C
Index of Refraction: 1.807
Molar Refractivity: 112.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.33
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 12.13
ACD/KOC (pH 7.4): 120.05
Polar Surface Area: 155 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 69.5±7.0 dyne/cm
Molar Volume: 260.7±7.0 cm3

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