ChemSpider 2D Image | Ethyl {[6-chloro-3-(2,4-dichloro-5-isopropoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate | C21H19Cl3N2O4S

Ethyl {[6-chloro-3-(2,4-dichloro-5-isopropoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate

  • Molecular FormulaC21H19Cl3N2O4S
  • Average mass501.811 Da
  • Monoisotopic mass500.013123 Da
  • ChemSpider ID78325965

More details:

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

{[6-Chloro-3-(2,4-dichloro-5-isopropoxyphényl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}acétate d'éthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[6-chloro-3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-3,4-dihydro-4-oxo-2-quinazolinyl]thio]-, ethyl ester [ACD/Index Name]
Ethyl {[6-chloro-3-(2,4-dichloro-5-isopropoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}acetate [ACD/IUPAC Name]
Ethyl-{[6-chlor-3-(2,4-dichlor-5-isopropoxyphenyl)-4-oxo-3,4-dihydro-2-chinazolinyl]sulfanyl}acetat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 630.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.9±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 124.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18555.50
ACD/KOC (pH 5.5): 39532.98
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 18555.50
ACD/KOC (pH 7.4): 39532.98
Polar Surface Area: 94 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 347.7±7.0 cm3

Click to predict properties on the Chemicalize site


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