ChemSpider 2D Image | 1-(2-{4-[(2,4-Dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-3-(2-methyl-2-propanyl)-1-(tetrahydro-2-furanylmethyl)urea | C28H39N3O4S

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

  • Molecular FormulaC28H39N3O4S
  • Average mass513.692 Da
  • Monoisotopic mass513.266113 Da
  • ChemSpider ID22672396

More details:

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

1-(2-{4-[(2,4-Dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-3-(2-methyl-2-propanyl)-1-(tetrahydro-2-furanylmethyl)harnstoff [German] [ACD/IUPAC Name]
1-(2-{4-[(2,4-Dimethylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-3-(2-methyl-2-propanyl)-1-(tetrahydro-2-furanylmethyl)urea [ACD/IUPAC Name]
1-(2-{4-[(2,4-Diméthylphénoxy)méthyl]-6,7-dihydrothiéno[3,2-c]pyridin-5(4H)-yl}-2-oxoéthyl)-3-(2-méthyl-2-propanyl)-1-(tétrahydro-2-furanylméthyl)urée [French] [ACD/IUPAC Name]
Urea, N'-(1,1-dimethylethyl)-N-[2-[4-[(2,4-dimethylphenoxy)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: 1.2±0.1 g/cm3
Boiling Point: 723.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.3±32.9 °C
Index of Refraction: 1.568
Molar Refractivity: 143.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2473.86
ACD/KOC (pH 5.5): 9344.87
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2473.85
ACD/KOC (pH 7.4): 9344.84
Polar Surface Area: 99 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 438.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement