Found 20 results

Search term: MF = 'C_{20}H_{15}BrN_{6}O_{4}S'
ChemSpider 2D Image | 6-(4-Bromo-2-methoxyphenoxy)-5-nitro-N-[4-(1,2,3-thiadiazol-4-yl)benzyl]-4-pyrimidinamine | C20H15BrN6O4S

6-(4-Bromo-2-methoxyphenoxy)-5-nitro-N-[4-(1,2,3-thiadiazol-4-yl)benzyl]-4-pyrimidinamine

  • Molecular FormulaC20H15BrN6O4S
  • Average mass515.340 Da
  • Monoisotopic mass514.005859 Da
  • ChemSpider ID2641948

More details:

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

4-Pyrimidinamine, 6-(4-bromo-2-methoxyphenoxy)-5-nitro-N-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]- [ACD/Index Name]
6-(4-Brom-2-methoxyphenoxy)-5-nitro-N-[4-(1,2,3-thiadiazol-4-yl)benzyl]-4-pyrimidinamin [German] [ACD/IUPAC Name]
6-(4-Bromo-2-methoxyphenoxy)-5-nitro-N-[4-(1,2,3-thiadiazol-4-yl)benzyl]-4-pyrimidinamine [ACD/IUPAC Name]
6-(4-Bromo-2-méthoxyphénoxy)-5-nitro-N-[4-(1,2,3-thiadiazol-4-yl)benzyl]-4-pyrimidinamine [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 661.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.7±34.3 °C
Index of Refraction: 1.696
Molar Refractivity: 123.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2684.97
ACD/KOC (pH 5.5): 9908.98
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2684.98
ACD/KOC (pH 7.4): 9909.04
Polar Surface Area: 156 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 70.0±3.0 dyne/cm
Molar Volume: 319.9±3.0 cm3

Click to predict properties on the Chemicalize site


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