ChemSpider 2D Image | Lorpiprazole | C21H26F3N5

Lorpiprazole

  • Molecular FormulaC21H26F3N5
  • Average mass405.460 Da
  • Monoisotopic mass405.214020 Da
  • ChemSpider ID28652157

More details:

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

108785-69-9 [RN]
3-(2-{4-[3-(Trifluormethyl)phenyl]-1-piperazinyl}ethyl)-5,5a,6,7,8,8a-hexahydrocyclopenta[3,4]pyrrolo[2,1-c][1,2,4]triazol [German] [ACD/IUPAC Name]
3-(2-{4-[3-(Trifluormethyl)phenyl]-1-piperazinyl}ethyl)-5,5a,6,7,8,8a-hexahydrocyclopenta[3,4]pyrrolo[2,1-c][1,2,4]triazol
3-(2-{4-[3-(Trifluoromethyl)phenyl]-1-piperazinyl}ethyl)-5,5a,6,7,8,8a-hexahydrocyclopenta[3,4]pyrrolo[2,1-c][1,2,4]triazole [ACD/IUPAC Name]
3-(2-{4-[3-(Trifluorométhyl)phényl]-1-pipérazinyl}éthyl)-5,5a,6,7,8,8a-hexahydrocyclopenta[3,4]pyrrolo[2,1-c][1,2,4]triazole [French] [ACD/IUPAC Name]
5,5a,6,7,8,8a-Hexahydro-3-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]cyclopenta[3,4]pyrrolo[2,1-c]-1,2,4-triazole
Cyclopenta[3,4]pyrrolo[2,1-c]-1,2,4-triazole, 5,5a,6,7,8,8a-hexahydro-3-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]- [ACD/Index Name]
Lorpiprazole [INN]
0M14O7T47Q

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

Density: 1.4±0.1 g/cm3
Boiling Point: 556.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 290.6±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 104.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 74.71
ACD/KOC (pH 5.5): 494.13
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 329.74
ACD/KOC (pH 7.4): 2180.88
Polar Surface Area: 37 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 283.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement