ChemSpider 2D Image | 1-(3-{4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}phenyl)-3-(3-oxo-1-phenyl-2-butanyl)urea | C36H43N3O7

1-(3-{4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}phenyl)-3-(3-oxo-1-phenyl-2-butanyl)urea

  • Molecular FormulaC36H43N3O7
  • Average mass629.742 Da
  • Monoisotopic mass629.310120 Da
  • ChemSpider ID3487022

More details:

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

1-(3-{4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}phenyl)-3-(3-oxo-1-phenyl-2-butanyl)harnstoff [German] [ACD/IUPAC Name]
1-(3-{4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}phenyl)-3-(3-oxo-1-phenyl-2-butanyl)urea [ACD/IUPAC Name]
1-(3-{4-(1,4-Dioxa-8-azaspiro[4.5]déc-8-ylméthyl)-6-[4-(hydroxyméthyl)phényl]-1,3-dioxan-2-yl}phényl)-3-(3-oxo-1-phényl-2-butanyl)urée [French] [ACD/IUPAC Name]
Urea, N-[3-[4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-N'-[2-oxo-1-(phenylmethyl)propyl]- [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: 783.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.5±3.0 kJ/mol
Flash Point: 427.5±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 173.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 7.35
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 17.38
ACD/KOC (pH 5.5): 39.47
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 444.18
ACD/KOC (pH 7.4): 1008.69
Polar Surface Area: 119 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 482.5±5.0 cm3

Click to predict properties on the Chemicalize site


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