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Search term: JFFFWBOKAMKZRH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydro-7-quinazolinecarboxylate | C31H33N3O6S

Methyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydro-7-quinazolinecarboxylate

  • Molecular FormulaC31H33N3O6S
  • Average mass575.675 Da
  • Monoisotopic mass575.208984 Da
  • ChemSpider ID2729262

More details:

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

3-[2-(3,4-Diméthoxyphényl)éthyl]-2-({2-[éthyl(3-méthylphényl)amino]-2-oxoéthyl}sulfanyl)-4-oxo-3,4-dihydro-7-quinazolinecarboxylate de méthyle [French] [ACD/IUPAC Name]
7-Quinazolinecarboxylic acid, 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-[ethyl(3-methylphenyl)amino]-2-oxoethyl]thio]-3,4-dihydro-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydro-7-quinazolinecarboxylate [ACD/IUPAC Name]
Methyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3,4-dihydro-7-chinazolincarboxylat [German] [ACD/IUPAC Name]
methyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}thio)-4-oxo-3,4-dihydroquinazoline-7-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 740.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.7±35.7 °C
Index of Refraction: 1.604
Molar Refractivity: 159.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1222.60
ACD/KOC (pH 5.5): 5642.56
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1222.61
ACD/KOC (pH 7.4): 5642.62
Polar Surface Area: 123 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 464.5±7.0 cm3

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