ChemSpider 2D Image | 1-[4-(4-{[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]methyl}-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl)benzyl]-3-ethylurea | C34H42ClN3O5

1-[4-(4-{[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]methyl}-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl)benzyl]-3-ethylurea

  • Molecular FormulaC34H42ClN3O5
  • Average mass608.167 Da
  • Monoisotopic mass607.281311 Da
  • ChemSpider ID2790177

More details:

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

1-[4-(4-{[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]methyl}-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl)benzyl]-3-ethylurea [ACD/IUPAC Name]
1-[4-(4-{[4-(4-Chlorophényl)-4-hydroxy-1-pipéridinyl]méthyl}-6-[4-(hydroxyméthyl)phényl]-5-méthyl-1,3-dioxan-2-yl)benzyl]-3-éthylurée [French] [ACD/IUPAC Name]
1-[4-(4-{[4-(4-Chlorphenyl)-4-hydroxy-1-piperidinyl]methyl}-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl)benzyl]-3-ethylharnstoff [German] [ACD/IUPAC Name]
Urea, N-[[4-[4-[[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]methyl]-N'-ethyl- [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: 829.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.4±3.0 kJ/mol
Flash Point: 455.4±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 167.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 12.90
ACD/KOC (pH 5.5): 76.62
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 336.66
ACD/KOC (pH 7.4): 2000.43
Polar Surface Area: 103 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 494.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement