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

1-(3-{4-[(4,5-Dichloro-1H-imidazol-1-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-5-phenyl-1,3-dioxan-2-yl}phenyl)-3-ethylurea

  • Molecular FormulaC30H30Cl2N4O4
  • Average mass581.490 Da
  • Monoisotopic mass580.164429 Da
  • ChemSpider ID3512824

More details:

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

1-(3-{4-[(4,5-Dichlor-1H-imidazol-1-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-5-phenyl-1,3-dioxan-2-yl}phenyl)-3-ethylharnstoff [German] [ACD/IUPAC Name]
1-(3-{4-[(4,5-Dichloro-1H-imidazol-1-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-5-phenyl-1,3-dioxan-2-yl}phenyl)-3-ethylurea [ACD/IUPAC Name]
1-(3-{4-[(4,5-Dichloro-1H-imidazol-1-yl)méthyl]-6-[4-(hydroxyméthyl)phényl]-5-phényl-1,3-dioxan-2-yl}phényl)-3-éthylurée [French] [ACD/IUPAC Name]
Urea, N-[3-[4-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-5-phenyl-1,3-dioxan-2-yl]phenyl]-N'-ethyl- [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: 761.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 414.3±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 154.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6519.65
ACD/KOC (pH 5.5): 18695.19
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6523.94
ACD/KOC (pH 7.4): 18707.49
Polar Surface Area: 98 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 422.4±7.0 cm3

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