ChemSpider 2D Image | Ethyl 4-[5-(6,7-diethoxy-4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)pentanoyl]-1-piperazinecarboxylate | C24H34N4O6S

Ethyl 4-[5-(6,7-diethoxy-4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)pentanoyl]-1-piperazinecarboxylate

  • Molecular FormulaC24H34N4O6S
  • Average mass506.615 Da
  • Monoisotopic mass506.219910 Da
  • ChemSpider ID22491046

More details:

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

1-Piperazinecarboxylic acid, 4-[5-(6,7-diethoxy-1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)-1-oxopentyl]-, ethyl ester [ACD/Index Name]
4-[5-(6,7-Diéthoxy-4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)pentanoyl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[5-(6,7-diethoxy-4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)pentanoyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[5-(6,7-diethoxy-4-oxo-2-thioxo-1,4-dihydro-3(2H)-chinazolinyl)pentanoyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
ethyl 4-[5-(6,7-diethoxy-4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)pentanoyl]piperazine-1-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 680.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 365.4±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 134.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.46
ACD/KOC (pH 5.5): 811.79
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.43
ACD/KOC (pH 7.4): 811.58
Polar Surface Area: 133 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 385.2±5.0 cm3

Click to predict properties on the Chemicalize site


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