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

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

  • Molecular FormulaC28H39N3O4S
  • Average mass513.692 Da
  • Monoisotopic mass513.266113 Da
  • ChemSpider ID22672226

More details:

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

1-(2-{4-[(4-Isopropylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-3-propyl-1-(tetrahydro-2-furanylmethyl)harnstoff [German] [ACD/IUPAC Name]
1-(2-{4-[(4-Isopropylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-3-propyl-1-(tetrahydro-2-furanylmethyl)urea [ACD/IUPAC Name]
1-(2-{4-[(4-Isopropylphénoxy)méthyl]-6,7-dihydrothiéno[3,2-c]pyridin-5(4H)-yl}-2-oxoéthyl)-3-propyl-1-(tétrahydro-2-furanylméthyl)urée [French] [ACD/IUPAC Name]
Urea, N-[2-[6,7-dihydro-4-[[4-(1-methylethyl)phenoxy]methyl]thieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl]-N'-propyl-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: 728.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.6±32.9 °C
Index of Refraction: 1.566
Molar Refractivity: 143.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2272.03
ACD/KOC (pH 5.5): 8792.60
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2272.02
ACD/KOC (pH 7.4): 8792.58
Polar Surface Area: 99 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 439.1±3.0 cm3

Click to predict properties on the Chemicalize site


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