ChemSpider 2D Image | 3-(3-Chlorophenyl)-1-(2-{4-[(2-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-1-(tetrahydro-2-furanylmethyl)urea | C28H29ClFN3O4S

3-(3-Chlorophenyl)-1-(2-{4-[(2-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-1-(tetrahydro-2-furanylmethyl)urea

  • Molecular FormulaC28H29ClFN3O4S
  • Average mass558.064 Da
  • Monoisotopic mass557.155151 Da
  • ChemSpider ID22672409

More details:

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

3-(3-Chlorophenyl)-1-(2-{4-[(2-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-1-(tetrahydro-2-furanylmethyl)urea [ACD/IUPAC Name]
3-(3-Chlorophényl)-1-(2-{4-[(2-fluorophénoxy)méthyl]-6,7-dihydrothiéno[3,2-c]pyridin-5(4H)-yl}-2-oxoéthyl)-1-(tétrahydro-2-furanylméthyl)urée [French] [ACD/IUPAC Name]
3-(3-Chlorphenyl)-1-(2-{4-[(2-fluorphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-1-(tetrahydro-2-furanylmethyl)harnstoff [German] [ACD/IUPAC Name]
Urea, N'-(3-chlorophenyl)-N-[2-[4-[(2-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl]-N-[(tetrahydro-2-furanyl)methyl]- [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: 773.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 421.5±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 145.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2596.38
ACD/KOC (pH 5.5): 9673.88
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2596.33
ACD/KOC (pH 7.4): 9673.69
Polar Surface Area: 99 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 410.7±3.0 cm3

Click to predict properties on the Chemicalize site


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