ChemSpider 2D Image | 2-Benzyl-N-({1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methyl)-N-methyl-1,3-thiazole-4-carboxamide | C26H30FN3OS

2-Benzyl-N-({1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methyl)-N-methyl-1,3-thiazole-4-carboxamide

  • Molecular FormulaC26H30FN3OS
  • Average mass451.599 Da
  • Monoisotopic mass451.209351 Da
  • ChemSpider ID22160532

More details:

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

2-Benzyl-N-({1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methyl)-N-methyl-1,3-thiazole-4-carboxamide [ACD/IUPAC Name]
2-Benzyl-N-({1-[2-(4-fluorophényl)éthyl]-4-pipéridinyl}méthyl)-N-méthyl-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
2-Benzyl-N-({1-[2-(4-fluorphenyl)ethyl]-4-piperidinyl}methyl)-N-methyl-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
4-Thiazolecarboxamide, N-[[1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl]methyl]-N-methyl-2-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 604.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.7±28.7 °C
Index of Refraction: 1.588
Molar Refractivity: 128.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 5.98
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 35.44
ACD/KOC (pH 7.4): 175.97
Polar Surface Area: 65 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 382.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement