ChemSpider 2D Image | 1-(3-{[(2-Methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-(3-thienyl)urea | C18H21N3OS2

1-(3-{[(2-Methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-(3-thienyl)urea

  • Molecular FormulaC18H21N3OS2
  • Average mass359.509 Da
  • Monoisotopic mass359.112610 Da
  • ChemSpider ID35034810

More details:






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

1-(3-{[(2-Methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-(3-thienyl)harnstoff [German] [ACD/IUPAC Name]
1-(3-{[(2-Methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-(3-thienyl)urea [ACD/IUPAC Name]
1-(3-{[(2-Méthyl-1-benzothiophén-3-yl)méthyl]amino}propyl)-3-(3-thiényl)urée [French] [ACD/IUPAC Name]
1-(3-{[(2-Methyl-1-Benzothiophen-3-Yl)methyl]amino}propyl)-3-Thiophen-3-Ylurea
Urea, N-[3-[[(2-methylbenzo[b]thien-3-yl)methyl]amino]propyl]-N'-3-thienyl- [ACD/Index Name]
2EM

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

Density: 1.3±0.1 g/cm3
Boiling Point: 534.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.3±30.1 °C
Index of Refraction: 1.679
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 1.11
ACD/KOC (pH 5.5): 5.19
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 15.83
ACD/KOC (pH 7.4): 74.26
Polar Surface Area: 110 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 279.7±3.0 cm3

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