ChemSpider 2D Image | 3-(1,3-Benzodioxol-5-ylmethyl)-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(4-morpholinyl)-4(3H)-quinazolinone | C28H24ClN3O5S

3-(1,3-Benzodioxol-5-ylmethyl)-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(4-morpholinyl)-4(3H)-quinazolinone

  • Molecular FormulaC28H24ClN3O5S
  • Average mass550.025 Da
  • Monoisotopic mass549.112549 Da
  • ChemSpider ID3317773

More details:

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

3-(1,3-Benzodioxol-5-ylmethyl)-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(4-morpholinyl)-4(3H)-quinazolinone [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-ylméthyl)-2-{[2-(4-chlorophényl)-2-oxoéthyl]sulfanyl}-6-(4-morpholinyl)-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-ylmethyl)-2-{[2-(4-chlorphenyl)-2-oxoethyl]sulfanyl}-6-(4-morpholinyl)-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 3-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-6-(4-morpholinyl)- [ACD/Index Name]
3-(1,3-benzodioxol-5-ylmethyl)-2-{[2-(4-chlorophenyl)-2-oxoethyl]thio}-6-morpholin-4-ylquinazolin-4(3H)-one
3-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-6-morpholinoquinazolin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-(morpholin-4-yl)-3,4-dihydroquinazolin-4-one
689757-09-3 [RN]

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

EU-0027938 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 780.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 426.1±35.7 °C
Index of Refraction: 1.702
Molar Refractivity: 145.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 501.91
ACD/KOC (pH 5.5): 2971.36
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 509.01
ACD/KOC (pH 7.4): 3013.39
Polar Surface Area: 106 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 375.7±7.0 cm3

Click to predict properties on the Chemicalize site


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