ChemSpider 2D Image | 1-(3-{[3-Allyl-2-(allyloxy)-5-chlorobenzyl]amino}propyl)-3-(3-thienyl)urea | C21H26ClN3O2S

1-(3-{[3-Allyl-2-(allyloxy)-5-chlorobenzyl]amino}propyl)-3-(3-thienyl)urea

  • Molecular FormulaC21H26ClN3O2S
  • Average mass419.968 Da
  • Monoisotopic mass419.143433 Da
  • ChemSpider ID35034811

More details:






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

1-(3-{[3-Allyl-2-(allyloxy)-5-chlorbenzyl]amino}propyl)-3-(3-thienyl)harnstoff [German] [ACD/IUPAC Name]
1-(3-{[3-Allyl-2-(allyloxy)-5-chlorobenzyl]amino}propyl)-3-(3-thienyl)urea [ACD/IUPAC Name]
1-(3-{[3-Allyl-2-(allyloxy)-5-chlorobenzyl]amino}propyl)-3-(3-thiényl)urée [French] [ACD/IUPAC Name]
1-(3-{[5-Chloro-3-(Prop-2-En-1-Yl)-2-(Prop-2-En-1-Yloxy)benzyl]amino}propyl)-3-Thiophen-3-Ylurea
Urea, N-[3-[[[5-chloro-3-(2-propen-1-yl)-2-(2-propen-1-yloxy)phenyl]methyl]amino]propyl]-N'-3-thienyl- [ACD/Index Name]
2EN

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 537.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.8±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 119.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 2.82
ACD/KOC (pH 5.5): 11.06
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 85.17
ACD/KOC (pH 7.4): 333.48
Polar Surface Area: 91 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 348.3±3.0 cm3

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