ChemSpider 2D Image | 1-(1-Benzyl-4-piperidinyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]thiourea | C21H24F3N3S

1-(1-Benzyl-4-piperidinyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]thiourea

  • Molecular FormulaC21H24F3N3S
  • Average mass407.496 Da
  • Monoisotopic mass407.164307 Da
  • ChemSpider ID120119941

More details:

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

1-(1-Benzyl-4-piperidinyl)-3-methyl-1-[4-(trifluormethyl)phenyl]thioharnstoff [German] [ACD/IUPAC Name]
1-(1-Benzyl-4-piperidinyl)-3-methyl-1-[4-(trifluoromethyl)phenyl]thiourea [ACD/IUPAC Name]
1-(1-Benzyl-4-pipéridinyl)-3-méthyl-1-[4-(trifluorométhyl)phényl]thiourée [French] [ACD/IUPAC Name]
Thiourea, N'-methyl-N-[1-(phenylmethyl)-4-piperidinyl]-N-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 470.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 238.3±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 110.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 9.69
ACD/KOC (pH 5.5): 41.47
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 474.52
ACD/KOC (pH 7.4): 2030.06
Polar Surface Area: 51 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 323.1±3.0 cm3

Click to predict properties on the Chemicalize site


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