ChemSpider 2D Image | 2-[(3,4-Difluorobenzyl)sulfanyl]-3-(2-thienylmethyl)-4(3H)-quinazolinone | C20H14F2N2OS2

2-[(3,4-Difluorobenzyl)sulfanyl]-3-(2-thienylmethyl)-4(3H)-quinazolinone

  • Molecular FormulaC20H14F2N2OS2
  • Average mass400.465 Da
  • Monoisotopic mass400.051544 Da
  • ChemSpider ID26028175

More details:

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

2-[(3,4-Difluorbenzyl)sulfanyl]-3-(2-thienylmethyl)-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
2-[(3,4-Difluorobenzyl)sulfanyl]-3-(2-thienylmethyl)-4(3H)-quinazolinone [ACD/IUPAC Name]
2-[(3,4-Difluorobenzyl)sulfanyl]-3-(2-thiénylméthyl)-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 2-[[(3,4-difluorophenyl)methyl]thio]-3-(2-thienylmethyl)- [ACD/Index Name]
2-(3,4-Difluoro-benzylsulfanyl)-3-thiophen-2-ylmethyl-3H-quinazolin-4-one
2-[(3,4-difluorobenzyl)sulfanyl]-3-(thiophen-2-ylmethyl)quinazolin-4(3H)-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 556.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 290.3±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 107.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 1555.78
ACD/KOC (pH 5.5): 6704.93
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1555.78
ACD/KOC (pH 7.4): 6704.93
Polar Surface Area: 86 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 288.0±7.0 cm3

Click to predict properties on the Chemicalize site


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