Found 10 results

Search term: MF = 'C_{31}H_{26}F_{2}N_{4}O_{3}S'
ChemSpider 2D Image | N-{4-[(2-{3-[(Dimethylamino)methyl]phenyl}thieno[3,2-b]pyridin-7-yl)oxy]-3-fluorophenyl}-N'-(2-fluorophenyl)malonamide | C31H26F2N4O3S

N-{4-[(2-{3-[(Dimethylamino)methyl]phenyl}thieno[3,2-b]pyridin-7-yl)oxy]-3-fluorophenyl}-N'-(2-fluorophenyl)malonamide

  • Molecular FormulaC31H26F2N4O3S
  • Average mass572.625 Da
  • Monoisotopic mass572.169373 Da
  • ChemSpider ID13171079

More details:

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

N-{4-[(2-{3-[(Dimethylamino)methyl]phenyl}thieno[3,2-b]pyridin-7-yl)oxy]-3-fluorophenyl}-N'-(2-fluorophenyl)malonamide [ACD/IUPAC Name]
N-{4-[(2-{3-[(Diméthylamino)méthyl]phényl}thiéno[3,2-b]pyridin-7-yl)oxy]-3-fluorophényl}-N'-(2-fluorophényl)malonamide [French] [ACD/IUPAC Name]
N-{4-[(2-{3-[(Dimethylamino)methyl]phenyl}thieno[3,2-b]pyridin-7-yl)oxy]-3-fluorphenyl}-N'-(2-fluorphenyl)malonamid [German] [ACD/IUPAC Name]
Propanediamide, N1-[4-[[2-[3-[(dimethylamino)methyl]phenyl]thieno[3,2-b]pyridin-7-yl]oxy]-3-fluorophenyl]-N3-(2-fluorophenyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 756.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 411.4±32.9 °C
Index of Refraction: 1.679
Molar Refractivity: 157.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.29
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 9.89
ACD/KOC (pH 5.5): 27.26
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 111.75
ACD/KOC (pH 7.4): 308.04
Polar Surface Area: 112 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 417.7±3.0 cm3

Click to predict properties on the Chemicalize site


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