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Search term: FARFGOOSWAQYQX (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1-{3-[(3-Chloro-5-methoxybenzyl)amino]propyl}-3-(3-thienyl)urea | C16H20ClN3O2S

1-{3-[(3-Chloro-5-methoxybenzyl)amino]propyl}-3-(3-thienyl)urea

  • Molecular FormulaC16H20ClN3O2S
  • Average mass353.867 Da
  • Monoisotopic mass353.096466 Da
  • ChemSpider ID28670359

More details:






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

1-{3-[(3-Chlor-5-methoxybenzyl)amino]propyl}-3-(3-thienyl)harnstoff [German] [ACD/IUPAC Name]
1-{3-[(3-Chloro-5-methoxybenzyl)amino]propyl}-3-(3-thienyl)urea [ACD/IUPAC Name]
1-{3-[(3-Chloro-5-méthoxybenzyl)amino]propyl}-3-(3-thiényl)urée [French] [ACD/IUPAC Name]
1-{3-[(3-Chloro-5-Methoxybenzyl)amino]propyl}-3-Thiophen-3-Ylurea
Urea, N-[3-[[(3-chloro-5-methoxyphenyl)methyl]amino]propyl]-N'-3-thienyl- [ACD/Index Name]
44F

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

Density: 1.3±0.1 g/cm3
Boiling Point: 495.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 253.7±28.7 °C
Index of Refraction: 1.613
Molar Refractivity: 96.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.65
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 6.05
ACD/KOC (pH 7.4): 50.52
Polar Surface Area: 91 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 275.8±3.0 cm3

Click to predict properties on the Chemicalize site






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