ChemSpider 2D Image | 1-Benzyl-3-(4-{4-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}benzyl)urea | C30H30Cl2N4O4

1-Benzyl-3-(4-{4-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}benzyl)urea

  • Molecular FormulaC30H30Cl2N4O4
  • Average mass581.490 Da
  • Monoisotopic mass580.164429 Da
  • ChemSpider ID3335850

More details:

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

1-Benzyl-3-(4-{4-[(4,5-dichlor-1H-imidazol-1-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}benzyl)harnstoff [German] [ACD/IUPAC Name]
1-Benzyl-3-(4-{4-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl}benzyl)urea [ACD/IUPAC Name]
1-Benzyl-3-(4-{4-[(4,5-dichloro-1H-imidazol-1-yl)méthyl]-6-[4-(hydroxyméthyl)phényl]-1,3-dioxan-2-yl}benzyl)urée [French] [ACD/IUPAC Name]
Urea, N-[[4-[4-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]methyl]-N'-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 870.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.5±3.0 kJ/mol
Flash Point: 480.0±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 154.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3788.29
ACD/KOC (pH 5.5): 12675.37
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3790.75
ACD/KOC (pH 7.4): 12683.60
Polar Surface Area: 98 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 423.2±7.0 cm3

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