ChemSpider 2D Image | N,N-Diethyl-3-(4-fluorophenyl)-4-oxo-2-[(4-vinylbenzyl)sulfanyl]-3,4-dihydro-7-quinazolinecarboxamide | C28H26FN3O2S

N,N-Diethyl-3-(4-fluorophenyl)-4-oxo-2-[(4-vinylbenzyl)sulfanyl]-3,4-dihydro-7-quinazolinecarboxamide

  • Molecular FormulaC28H26FN3O2S
  • Average mass487.588 Da
  • Monoisotopic mass487.172974 Da
  • ChemSpider ID23010945

More details:

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

7-Quinazolinecarboxamide, 2-[[(4-ethenylphenyl)methyl]thio]-N,N-diethyl-3-(4-fluorophenyl)-3,4-dihydro-4-oxo- [ACD/Index Name]
N,N-Diethyl-3-(4-fluorophenyl)-4-oxo-2-[(4-vinylbenzyl)sulfanyl]-3,4-dihydro-7-quinazolinecarboxamide [ACD/IUPAC Name]
N,N-Diéthyl-3-(4-fluorophényl)-4-oxo-2-[(4-vinylbenzyl)sulfanyl]-3,4-dihydro-7-quinazolinecarboxamide [French] [ACD/IUPAC Name]
N,N-Diethyl-3-(4-fluorphenyl)-4-oxo-2-[(4-vinylbenzyl)sulfanyl]-3,4-dihydro-7-chinazolincarboxamid [German] [ACD/IUPAC Name]
1115332-27-8 [RN]
2-[(4-ethenylphenyl)methylsulfanyl]-N,N-diethyl-3-(4-fluorophenyl)-4-oxoquinazoline-7-carboxamide
2-{[(4-ethenylphenyl)methyl]sulfanyl}-N,N-diethyl-3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
N,N-diethyl-3-(4-fluorophenyl)-4-oxo-2-((4-vinylbenzyl)thio)-3,4-dihydroquinazoline-7-carboxamide
N,N-diethyl-3-(4-fluorophenyl)-4-oxo-2-[(4-vinylbenzyl)thio]-3,4-dihydroquinazoline-7-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 685.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.2±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 141.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6028.38
ACD/KOC (pH 5.5): 17679.07
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6028.38
ACD/KOC (pH 7.4): 17679.07
Polar Surface Area: 78 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 44.2±7.0 dyne/cm
Molar Volume: 404.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement