ChemSpider 2D Image | 1-(2-{4-[(4-Chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-3-ethyl-1-(3-methylbutyl)urea | C24H32ClN3O3S

1-(2-{4-[(4-Chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-3-ethyl-1-(3-methylbutyl)urea

  • Molecular FormulaC24H32ClN3O3S
  • Average mass478.047 Da
  • Monoisotopic mass477.185303 Da
  • ChemSpider ID22670332

More details:

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

1-(2-{4-[(4-Chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-3-ethyl-1-(3-methylbutyl)urea [ACD/IUPAC Name]
1-(2-{4-[(4-Chlorophénoxy)méthyl]-6,7-dihydrothiéno[3,2-c]pyridin-5(4H)-yl}-2-oxoéthyl)-3-éthyl-1-(3-méthylbutyl)urée [French] [ACD/IUPAC Name]
1-(2-{4-[(4-Chlorphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-3-ethyl-1-(3-methylbutyl)harnstoff [German] [ACD/IUPAC Name]
Urea, N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl]-N'-ethyl-N-(3-methylbutyl)- [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: 682.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 366.7±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 129.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3725.19
ACD/KOC (pH 5.5): 12526.30
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3725.18
ACD/KOC (pH 7.4): 12526.25
Polar Surface Area: 90 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 395.1±3.0 cm3

Click to predict properties on the Chemicalize site


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