ChemSpider 2D Image | 1-{3-[(5-Chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-(3-thienyl)urea | C17H21ClIN3O2S

1-{3-[(5-Chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-(3-thienyl)urea

  • Molecular FormulaC17H21ClIN3O2S
  • Average mass493.790 Da
  • Monoisotopic mass493.008759 Da
  • ChemSpider ID35034806

More details:

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

1-{3-[(5-Chlor-2-ethoxy-3-iodbenzyl)amino]propyl}-3-(3-thienyl)harnstoff [German] [ACD/IUPAC Name]
1-{3-[(5-Chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-(3-thienyl)urea [ACD/IUPAC Name]
1-{3-[(5-Chloro-2-éthoxy-3-iodobenzyl)amino]propyl}-3-(3-thiényl)urée [French] [ACD/IUPAC Name]
1-{3-[(5-Chloro-2-Ethoxy-3-Iodobenzyl)amino]propyl}-3-Thiophen-3-Ylurea
Urea, N-[3-[[(5-chloro-2-ethoxy-3-iodophenyl)methyl]amino]propyl]-N'-3-thienyl- [ACD/Index Name]
2EF

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

Density: 1.6±0.1 g/cm3
Boiling Point: 552.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.2±30.1 °C
Index of Refraction: 1.642
Molar Refractivity: 113.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 8.70
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 73.81
ACD/KOC (pH 7.4): 363.64
Polar Surface Area: 91 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 314.4±3.0 cm3

Click to predict properties on the Chemicalize site


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