ChemSpider 2D Image | 1-{3-[(3-Allyl-5-chloro-2-hydroxybenzyl)amino]propyl}-3-(3-thienyl)urea | C18H22ClN3O2S

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

  • Molecular FormulaC18H22ClN3O2S
  • Average mass379.904 Da
  • Monoisotopic mass379.112122 Da
  • ChemSpider ID35034803

More details:






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

1-(3-{[5-Chloro-2-Hydroxy-3-(Prop-2-En-1-Yl)benzyl]amino}propyl)-3-Thiophen-3-Ylurea
1-{3-[(3-Allyl-5-chlor-2-hydroxybenzyl)amino]propyl}-3-(3-thienyl)harnstoff [German] [ACD/IUPAC Name]
1-{3-[(3-Allyl-5-chloro-2-hydroxybenzyl)amino]propyl}-3-(3-thienyl)urea [ACD/IUPAC Name]
1-{3-[(3-Allyl-5-chloro-2-hydroxybenzyl)amino]propyl}-3-(3-thiényl)urée [French] [ACD/IUPAC Name]
Urea, N-[3-[[[5-chloro-2-hydroxy-3-(2-propen-1-yl)phenyl]methyl]amino]propyl]-N'-3-thienyl- [ACD/Index Name]
2E9

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

Density: 1.3±0.1 g/cm3
Boiling Point: 527.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 272.6±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 105.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 1.03
ACD/KOC (pH 5.5): 6.09
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 44.78
ACD/KOC (pH 7.4): 264.24
Polar Surface Area: 102 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 294.6±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement