ChemSpider 2D Image | 2-{[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-4(3H)-quinazolinone | C31H33N3O6S

2-{[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-4(3H)-quinazolinone

  • Molecular FormulaC31H33N3O6S
  • Average mass575.675 Da
  • Monoisotopic mass575.208984 Da
  • ChemSpider ID3284828

More details:






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

2-{[2-(3,4-Dihydro-1(2H)-chinolinyl)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
2-{[2-(3,4-Dihydro-1(2H)-quinoléinyl)-2-oxoéthyl]sulfanyl}-3-[2-(3,4-diméthoxyphényl)éthyl]-6,7-diméthoxy-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
2-{[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]sulfanyl}-3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-4(3H)-quinazolinone [ACD/IUPAC Name]
4(3H)-Quinazolinone, 2-[[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy- [ACD/Index Name]
2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]thio}-3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-4(3H)-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 793.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 433.6±35.7 °C
Index of Refraction: 1.626
Molar Refractivity: 158.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 429.42
ACD/KOC (pH 5.5): 2668.21
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 429.44
ACD/KOC (pH 7.4): 2668.30
Polar Surface Area: 115 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 446.0±7.0 cm3

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