ChemSpider 2D Image | [1-Ethyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydro-5-pyrimidinyl](4-methoxyphenyl)methanone | C21H20N2O3S

[1-Ethyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydro-5-pyrimidinyl](4-methoxyphenyl)methanone

  • Molecular FormulaC21H20N2O3S
  • Average mass380.460 Da
  • Monoisotopic mass380.119476 Da
  • ChemSpider ID21130665

More details:

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

[1-Ethyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydro-5-pyrimidinyl](4-methoxyphenyl)methanon [German] [ACD/IUPAC Name]
[1-Ethyl-4-(4-methoxyphenyl)-2-thioxo-1,2-dihydro-5-pyrimidinyl](4-methoxyphenyl)methanone [ACD/IUPAC Name]
[1-Éthyl-4-(4-méthoxyphényl)-2-thioxo-1,2-dihydro-5-pyrimidinyl](4-méthoxyphényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [1-ethyl-1,2-dihydro-4-(4-methoxyphenyl)-2-thioxo-5-pyrimidinyl](4-methoxyphenyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 527.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 272.7±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 109.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 295.22
ACD/KOC (pH 5.5): 2040.49
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 295.22
ACD/KOC (pH 7.4): 2040.50
Polar Surface Area: 83 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 41.7±7.0 dyne/cm
Molar Volume: 316.8±7.0 cm3

Click to predict properties on the Chemicalize site


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