ChemSpider 2D Image | 3-(4-Fluorophenyl)-2-[(2-methylbenzyl)sulfanyl]-7-(1-piperidinylcarbonyl)-4(3H)-quinazolinone | C28H26FN3O2S

3-(4-Fluorophenyl)-2-[(2-methylbenzyl)sulfanyl]-7-(1-piperidinylcarbonyl)-4(3H)-quinazolinone

  • Molecular FormulaC28H26FN3O2S
  • Average mass487.588 Da
  • Monoisotopic mass487.172974 Da
  • ChemSpider ID23010896

More details:

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

3-(4-Fluorophenyl)-2-[(2-methylbenzyl)sulfanyl]-7-(1-piperidinylcarbonyl)-4(3H)-quinazolinone [ACD/IUPAC Name]
3-(4-Fluorophényl)-2-[(2-méthylbenzyl)sulfanyl]-7-(1-pipéridinylcarbonyl)-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
3-(4-Fluorphenyl)-2-[(2-methylbenzyl)sulfanyl]-7-(1-piperidinylcarbonyl)-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 3-(4-fluorophenyl)-2-[[(2-methylphenyl)methyl]thio]-7-(1-piperidinylcarbonyl)- [ACD/Index Name]
1115368-08-5 [RN]
3-(4-fluorophenyl)-2-((2-methylbenzyl)thio)-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one
3-(4-fluorophenyl)-2-[(2-methylbenzyl)thio]-7-(piperidin-1-ylcarbonyl)quinazolin-4(3H)-one
3-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]-7-(piperidine-1-carbonyl)quinazolin-4-one
3-(4-fluorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-7-(piperidine-1-carbonyl)-3,4-dihydroquinazolin-4-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 692.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.4±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 139.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3038.78
ACD/KOC (pH 5.5): 10827.07
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3038.78
ACD/KOC (pH 7.4): 10827.07
Polar Surface Area: 78 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 377.6±7.0 cm3

Click to predict properties on the Chemicalize site


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