ChemSpider 2D Image | 1-{[2-(Benzylsulfonyl)-1-isobutyl-1H-imidazol-5-yl]methyl}-1-(2-methoxyethyl)-3-(4-methoxyphenyl)thiourea | C26H34N4O4S2

1-{[2-(Benzylsulfonyl)-1-isobutyl-1H-imidazol-5-yl]methyl}-1-(2-methoxyethyl)-3-(4-methoxyphenyl)thiourea

  • Molecular FormulaC26H34N4O4S2
  • Average mass530.703 Da
  • Monoisotopic mass530.202148 Da
  • ChemSpider ID22637464

More details:

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

1-{[2-(Benzylsulfonyl)-1-isobutyl-1H-imidazol-5-yl]methyl}-1-(2-methoxyethyl)-3-(4-methoxyphenyl)thioharnstoff [German] [ACD/IUPAC Name]
1-{[2-(Benzylsulfonyl)-1-isobutyl-1H-imidazol-5-yl]methyl}-1-(2-methoxyethyl)-3-(4-methoxyphenyl)thiourea [ACD/IUPAC Name]
1-{[2-(Benzylsulfonyl)-1-isobutyl-1H-imidazol-5-yl]méthyl}-1-(2-méthoxyéthyl)-3-(4-méthoxyphényl)thiourée [French] [ACD/IUPAC Name]
Thiourea, N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N-[[1-(2-methylpropyl)-2-[(phenylmethyl)sulfonyl]-1H-imidazol-5-yl]methyl]- [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: 694.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 373.5±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 147.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 527.40
ACD/KOC (pH 5.5): 3091.04
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 527.43
ACD/KOC (pH 7.4): 3091.18
Polar Surface Area: 126 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 434.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement