Found 83 results

Search term: MF = 'C_{35}H_{38}N_{2}O_{5}S'
ChemSpider 2D Image | 1-Benzyl-3-{[4'-(4-{[(2-hydroxyethyl)sulfanyl]methyl}-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl)-2-biphenylyl]methyl}urea | C35H38N2O5S

1-Benzyl-3-{[4'-(4-{[(2-hydroxyethyl)sulfanyl]methyl}-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl)-2-biphenylyl]methyl}urea

  • Molecular FormulaC35H38N2O5S
  • Average mass598.752 Da
  • Monoisotopic mass598.250122 Da
  • ChemSpider ID4259635

More details:

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

1-Benzyl-3-{[4'-(4-{[(2-hydroxyethyl)sulfanyl]methyl}-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl)-2-biphenylyl]methyl}harnstoff [German] [ACD/IUPAC Name]
1-Benzyl-3-{[4'-(4-{[(2-hydroxyethyl)sulfanyl]methyl}-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl)-2-biphenylyl]methyl}urea [ACD/IUPAC Name]
1-Benzyl-3-{[4'-(4-{[(2-hydroxyéthyl)sulfanyl]méthyl}-6-[4-(hydroxyméthyl)phényl]-1,3-dioxan-2-yl)-2-biphénylyl]méthyl}urée [French] [ACD/IUPAC Name]
Urea, N-[[4'-[4-[[(2-hydroxyethyl)thio]methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl][1,1'-biphenyl]-2-yl]methyl]-N'-(phenylmethyl)- [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: 878.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.8±3.0 kJ/mol
Flash Point: 485.2±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 171.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2213.03
ACD/KOC (pH 5.5): 8628.56
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2212.99
ACD/KOC (pH 7.4): 8628.41
Polar Surface Area: 125 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 486.3±3.0 cm3

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