ChemSpider 2D Image | 1-{3-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxy-5-(2-methyl-2-propanyl)phenyl}-3-{4-[6-(4-morpholinylmethyl)-3-pyridinyl]-1-naphthyl}urea | C38H46N4O5

1-{3-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxy-5-(2-methyl-2-propanyl)phenyl}-3-{4-[6-(4-morpholinylmethyl)-3-pyridinyl]-1-naphthyl}urea

  • Molecular FormulaC38H46N4O5
  • Average mass638.796 Da
  • Monoisotopic mass638.346802 Da
  • ChemSpider ID8343801

More details:

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

1-{3-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxy-5-(2-methyl-2-propanyl)phenyl}-3-{4-[6-(4-morpholinylmethyl)-3-pyridinyl]-1-naphthyl}harnstoff [German] [ACD/IUPAC Name]
1-{3-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxy-5-(2-methyl-2-propanyl)phenyl}-3-{4-[6-(4-morpholinylmethyl)-3-pyridinyl]-1-naphthyl}urea [ACD/IUPAC Name]
1-{3-[(2,2-Diméthyl-1,3-dioxolan-4-yl)méthyl]-2-méthoxy-5-(2-méthyl-2-propanyl)phényl}-3-{4-[6-(4-morpholinylméthyl)-3-pyridinyl]-1-naphtyl}urée [French] [ACD/IUPAC Name]
Urea, N-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-(1,1-dimethylethyl)-2-methoxyphenyl]-N'-[4-[6-(4-morpholinylmethyl)-3-pyridinyl]-1-naphthalenyl]- [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: 666.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.6±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 186.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 10157.31
ACD/KOC (pH 5.5): 21448.13
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 18935.36
ACD/KOC (pH 7.4): 39983.83
Polar Surface Area: 94 Å2
Polarizability: 73.9±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 528.7±3.0 cm3

Click to predict properties on the Chemicalize site


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