ChemSpider 2D Image | 3-({3-[(6-Amino-5-bromo-4-pyrimidinyl)sulfanyl]propanoyl}amino)-4-methoxy-N-phenylbenzamide | C21H20BrN5O3S

3-({3-[(6-Amino-5-bromo-4-pyrimidinyl)sulfanyl]propanoyl}amino)-4-methoxy-N-phenylbenzamide

  • Molecular FormulaC21H20BrN5O3S
  • Average mass502.384 Da
  • Monoisotopic mass501.047028 Da
  • ChemSpider ID25060493

More details:

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

3-({3-[(6-Amino-5-brom-4-pyrimidinyl)sulfanyl]propanoyl}amino)-4-methoxy-N-phenylbenzamid [German] [ACD/IUPAC Name]
3-({3-[(6-Amino-5-bromo-4-pyrimidinyl)sulfanyl]propanoyl}amino)-4-methoxy-N-phenylbenzamide [ACD/IUPAC Name]
3-({3-[(6-Amino-5-bromo-4-pyrimidinyl)sulfanyl]propanoyl}amino)-4-méthoxy-N-phénylbenzamide [French] [ACD/IUPAC Name]
3-({3-[(6-amino-5-bromopyrimidin-4-yl)sulfanyl]propanoyl}amino)-4-methoxy-N-phenylbenzamide
Benzamide, 3-[[3-[(6-amino-5-bromo-4-pyrimidinyl)thio]-1-oxopropyl]amino]-4-methoxy-N-phenyl- [ACD/Index Name]
AK5

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

Density: 1.6±0.1 g/cm3
Boiling Point: 652.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.6±31.5 °C
Index of Refraction: 1.696
Molar Refractivity: 123.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 332.76
ACD/KOC (pH 5.5): 2222.88
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 332.82
ACD/KOC (pH 7.4): 2223.34
Polar Surface Area: 145 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 79.3±5.0 dyne/cm
Molar Volume: 321.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement