ChemSpider 2D Image | 2-({2,4-Bis[3,5-bis(cyclopropylmethoxy)phenyl]-6-methoxy-7-quinazolinyl}oxy)ethanol | C39H44N2O7

2-({2,4-Bis[3,5-bis(cyclopropylmethoxy)phenyl]-6-methoxy-7-quinazolinyl}oxy)ethanol

  • Molecular FormulaC39H44N2O7
  • Average mass652.776 Da
  • Monoisotopic mass652.314880 Da
  • ChemSpider ID23185310

More details:

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

2-({2,4-Bis[3,5-bis(cyclopropylmethoxy)phenyl]-6-methoxy-7-chinazolinyl}oxy)ethanol [German] [ACD/IUPAC Name]
2-({2,4-Bis[3,5-bis(cyclopropylmethoxy)phenyl]-6-methoxy-7-quinazolinyl}oxy)ethanol [ACD/IUPAC Name]
2-({2,4-Bis[3,5-bis(cyclopropylméthoxy)phényl]-6-méthoxy-7-quinazolinyl}oxy)éthanol [French] [ACD/IUPAC Name]
2-({2,4-bis[3,5-bis(cyclopropylmethoxy)phenyl]-6-methoxyquinazolin-7-yl}oxy)ethanol
Ethanol, 2-[[2,4-bis[3,5-bis(cyclopropylmethoxy)phenyl]-6-methoxy-7-quinazolinyl]oxy]- [ACD/Index Name]
2-[2,4-Bis-(3,5-bis-cyclopropylmethoxy-phenyl)-6-methoxy-quinazolin-7-yloxy]-ethanol
CHEMBL431806
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL431806/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 749.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 406.9±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 183.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 6.56
ACD/BCF (pH 5.5): 56729.69
ACD/KOC (pH 5.5): 87974.81
ACD/LogD (pH 7.4): 6.56
ACD/BCF (pH 7.4): 56729.94
ACD/KOC (pH 7.4): 87975.20
Polar Surface Area: 101 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 515.6±3.0 cm3

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