ChemSpider 2D Image | 4-[4-(Allyloxy)-2,3-dibromo-5-ethoxyphenyl]-6-amino-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide | C16H18Br2N4O3S

4-[4-(Allyloxy)-2,3-dibromo-5-ethoxyphenyl]-6-amino-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide

  • Molecular FormulaC16H18Br2N4O3S
  • Average mass506.212 Da
  • Monoisotopic mass503.946625 Da
  • ChemSpider ID102577980

More details:

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

4-[4-(Allyloxy)-2,3-dibrom-5-ethoxyphenyl]-6-amino-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
4-[4-(Allyloxy)-2,3-dibromo-5-ethoxyphenyl]-6-amino-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide [ACD/IUPAC Name]
4-[4-(Allyloxy)-2,3-dibromo-5-éthoxyphényl]-6-amino-2-thioxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxamide, 6-amino-4-[2,3-dibromo-5-ethoxy-4-(2-propen-1-yloxy)phenyl]-1,2,3,4-tetrahydro-2-thioxo- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 587.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 309.2±32.9 °C
Index of Refraction: 1.704
Molar Refractivity: 110.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.23
ACD/KOC (pH 5.5): 387.86
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.68
ACD/KOC (pH 7.4): 393.89
Polar Surface Area: 144 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 78.0±5.0 dyne/cm
Molar Volume: 285.7±5.0 cm3

Click to predict properties on the Chemicalize site


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