ChemSpider 2D Image | 1-Benzyl-3-(3-{4-({[2-hydroxy-2-(3-hydroxyphenyl)ethyl](methyl)amino}methyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl}phenyl)urea | C36H41N3O6

1-Benzyl-3-(3-{4-({[2-hydroxy-2-(3-hydroxyphenyl)ethyl](methyl)amino}methyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl}phenyl)urea

  • Molecular FormulaC36H41N3O6
  • Average mass611.727 Da
  • Monoisotopic mass611.299561 Da
  • ChemSpider ID3509364

More details:

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

1-Benzyl-3-(3-{4-({[2-hydroxy-2-(3-hydroxyphenyl)ethyl](methyl)amino}methyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl}phenyl)harnstoff [German] [ACD/IUPAC Name]
1-Benzyl-3-(3-{4-({[2-hydroxy-2-(3-hydroxyphenyl)ethyl](methyl)amino}methyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl}phenyl)urea [ACD/IUPAC Name]
1-Benzyl-3-(3-{4-({[2-hydroxy-2-(3-hydroxyphényl)éthyl](méthyl)amino}méthyl)-6-[4-(hydroxyméthyl)phényl]-5-méthyl-1,3-dioxan-2-yl}phényl)urée [French] [ACD/IUPAC Name]
Urea, N-[3-[4-[[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]methylamino]methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]-N'-(phenylmethyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 810.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.6±3.0 kJ/mol
Flash Point: 444.2±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 174.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 12.74
ACD/KOC (pH 5.5): 56.57
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 557.13
ACD/KOC (pH 7.4): 2474.41
Polar Surface Area: 124 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 488.5±3.0 cm3

Click to predict properties on the Chemicalize site


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