ChemSpider 2D Image | 1-{[1-(Tetrahydro-3-thiophenyl)-4-piperidinyl]methyl}-3-(2-thienylmethyl)urea | C16H25N3OS2

1-{[1-(Tetrahydro-3-thiophenyl)-4-piperidinyl]methyl}-3-(2-thienylmethyl)urea

  • Molecular FormulaC16H25N3OS2
  • Average mass339.519 Da
  • Monoisotopic mass339.143890 Da
  • ChemSpider ID34487810

More details:

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

1-{[1-(Tetrahydro-3-thiophenyl)-4-piperidinyl]methyl}-3-(2-thienylmethyl)harnstoff [German] [ACD/IUPAC Name]
1-{[1-(Tetrahydro-3-thiophenyl)-4-piperidinyl]methyl}-3-(2-thienylmethyl)urea [ACD/IUPAC Name]
1-{[1-(Tétrahydro-3-thiophényl)-4-pipéridinyl]méthyl}-3-(2-thiénylméthyl)urée [French] [ACD/IUPAC Name]
Urea, N-[[1-(tetrahydro-3-thienyl)-4-piperidinyl]methyl]-N'-(2-thienylmethyl)- [ACD/Index Name]
1-((1-(tetrahydrothiophen-3-yl)piperidin-4-yl)methyl)-3-(thiophen-2-ylmethyl)urea
1-{[1-(thiolan-3-yl)piperidin-4-yl]methyl}-3-[(thiophen-2-yl)methyl]urea
2034584-32-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 558.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.5±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 95.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 2.59
ACD/KOC (pH 7.4): 29.03
Polar Surface Area: 98 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 278.4±3.0 cm3

Click to predict properties on the Chemicalize site


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