Found 1 result

Search term: NIXVRUOYNFTKQD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-{3-[(3-Ethynylbenzyl)amino]propyl}-3-(3-thienyl)urea | C17H19N3OS

1-{3-[(3-Ethynylbenzyl)amino]propyl}-3-(3-thienyl)urea

  • Molecular FormulaC17H19N3OS
  • Average mass313.417 Da
  • Monoisotopic mass313.124878 Da
  • ChemSpider ID35034807

More details:

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

1-{3-[(3-Ethinylbenzyl)amino]propyl}-3-(3-thienyl)harnstoff [German] [ACD/IUPAC Name]
1-{3-[(3-Ethynylbenzyl)amino]propyl}-3-(3-thienyl)urea [ACD/IUPAC Name]
1-{3-[(3-Éthynylbenzyl)amino]propyl}-3-(3-thiényl)urée [French] [ACD/IUPAC Name]
1-{3-[(3-Ethynylbenzyl)amino]propyl}-3-Thiophen-3-Ylurea
Urea, N-[3-[[(3-ethynylphenyl)methyl]amino]propyl]-N'-3-thienyl- [ACD/Index Name]
2EJ

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

Density: 1.2±0.1 g/cm3
Boiling Point: 476.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 242.1±28.7 °C
Index of Refraction: 1.618
Molar Refractivity: 90.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.30
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 4.01
ACD/KOC (pH 7.4): 35.91
Polar Surface Area: 81 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 259.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement