ChemSpider 2D Image | [(3-Methyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl](phenyl)acetic acid | C17H14N2O3S

[(3-Methyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl](phenyl)acetic acid

  • Molecular FormulaC17H14N2O3S
  • Average mass326.370 Da
  • Monoisotopic mass326.072510 Da
  • ChemSpider ID24808630

More details:

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

[(3-Methyl-4-oxo-3,4-dihydro-2-chinazolinyl)sulfanyl](phenyl)essigsäure [German] [ACD/IUPAC Name]
[(3-Methyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl](phenyl)acetic acid [ACD/IUPAC Name]
Acide [(3-méthyl-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl](phényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[(3,4-dihydro-3-methyl-4-oxo-2-quinazolinyl)thio]- [ACD/Index Name]
Kinome_2486

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

Density: 1.4±0.1 g/cm3
Boiling Point: 518.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 267.2±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 90.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.76
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 241.7±7.0 cm3

Click to predict properties on the Chemicalize site


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