ChemSpider 2D Image | 3-[4-Amino-3-(4-bromophenyl)thieno[3,2-c]pyridin-7-yl]-N-[3-(1H-imidazol-1-yl)propyl]acrylamide | C22H20BrN5OS

3-[4-Amino-3-(4-bromophenyl)thieno[3,2-c]pyridin-7-yl]-N-[3-(1H-imidazol-1-yl)propyl]acrylamide

  • Molecular FormulaC22H20BrN5OS
  • Average mass482.396 Da
  • Monoisotopic mass481.057190 Da
  • ChemSpider ID24808762

More details:

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

2-Propenamide, 3-[4-amino-3-(4-bromophenyl)thieno[3,2-c]pyridin-7-yl]-N-[3-(1H-imidazol-1-yl)propyl]- [ACD/Index Name]
3-[4-Amino-3-(4-bromophenyl)thieno[3,2-c]pyridin-7-yl]-N-[3-(1H-imidazol-1-yl)propyl]acrylamide [ACD/IUPAC Name]
3-[4-Amino-3-(4-bromophényl)thiéno[3,2-c]pyridin-7-yl]-N-[3-(1H-imidazol-1-yl)propyl]acrylamide [French] [ACD/IUPAC Name]
3-[4-Amino-3-(4-bromphenyl)thieno[3,2-c]pyridin-7-yl]-N-[3-(1H-imidazol-1-yl)propyl]acrylamid [German] [ACD/IUPAC Name]
Kinome_2052

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

Density: 1.5±0.1 g/cm3
Boiling Point: 822.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 451.4±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 125.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 5.33
ACD/KOC (pH 5.5): 37.86
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 190.85
ACD/KOC (pH 7.4): 1356.81
Polar Surface Area: 114 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 59.3±7.0 dyne/cm
Molar Volume: 318.5±7.0 cm3

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