ChemSpider 2D Image | 3-(3-Bromo-4-methoxyphenyl)-N-[2-(3-thienyl)benzyl]propanamide | C21H20BrNO2S

3-(3-Bromo-4-methoxyphenyl)-N-[2-(3-thienyl)benzyl]propanamide

  • Molecular FormulaC21H20BrNO2S
  • Average mass430.358 Da
  • Monoisotopic mass429.039795 Da
  • ChemSpider ID30765419

More details:

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

3-(3-Brom-4-methoxyphenyl)-N-[2-(3-thienyl)benzyl]propanamid [German] [ACD/IUPAC Name]
3-(3-Bromo-4-methoxyphenyl)-N-[2-(3-thienyl)benzyl]propanamide [ACD/IUPAC Name]
3-(3-Bromo-4-méthoxyphényl)-N-[2-(3-thiényl)benzyl]propanamide [French] [ACD/IUPAC Name]
Benzenepropanamide, 3-bromo-4-methoxy-N-[[2-(3-thienyl)phenyl]methyl]- [ACD/Index Name]
1797894-90-6 [RN]
3-(3-bromo-4-methoxyphenyl)-N-(2-(thiophen-3-yl)benzyl)propanamide
3-(3-BROMO-4-METHOXYPHENYL)-N-{[2-(THIOPHEN-3-YL)PHENYL]METHYL}PROPANAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 612.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.1±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 110.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4366.13
ACD/KOC (pH 5.5): 14033.75
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4366.13
ACD/KOC (pH 7.4): 14033.77
Polar Surface Area: 67 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 316.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement