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ChemSpider 2D Image | 3-{2-[(5-Acetyl-2-methoxybenzyl)sulfanyl]-4-oxo-3(4H)-quinazolinyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide | C31H33N3O6S


  • Molecular FormulaC31H33N3O6S
  • Average mass575.675 Da
  • Monoisotopic mass575.208984 Da
  • ChemSpider ID5048386

More details:

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

3(4H)-Quinazolinepropanamide, 2-[[(5-acetyl-2-methoxyphenyl)methyl]thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo- [ACD/Index Name]
3-{2-[(5-Acetyl-2-methoxybenzyl)sulfanyl]-4-oxo-3(4H)-chinazolinyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamid [German] [ACD/IUPAC Name]
3-{2-[(5-Acetyl-2-methoxybenzyl)sulfanyl]-4-oxo-3(4H)-quinazolinyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide [ACD/IUPAC Name]
3-{2-[(5-Acétyl-2-méthoxybenzyl)sulfanyl]-4-oxo-3(4H)-quinazolinyl}-N-[2-(3,4-diméthoxyphényl)éthyl]propanamide [French] [ACD/IUPAC Name]
422288-84-4 [RN]

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

ChemDiv1_013378 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.609
Molar Refractivity: 159.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 632.79
ACD/KOC (pH 5.5): 3521.62
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 632.79
ACD/KOC (pH 7.4): 3521.63
Polar Surface Area: 132 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 459.3±7.0 cm3

Click to predict properties on the Chemicalize site