ChemSpider 2D Image | tilapertin | C20H21F3N2O2

tilapertin

  • Molecular FormulaC20H21F3N2O2
  • Average mass378.388 Da
  • Monoisotopic mass378.155518 Da
  • ChemSpider ID32699053

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4-{(R)-Phenyl[3-(trifluormethyl)phenyl]methyl}-1-piperazinyl)essigsäure [German] [ACD/IUPAC Name]
(4-{(R)-Phenyl[3-(trifluoromethyl)phenyl]methyl}-1-piperazinyl)acetic acid [ACD/IUPAC Name]
1000690-85-6 [RN]
1-Piperazineacetic acid, 4-[(R)-phenyl[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
4-[(R)-Phenyl[3-(trifluoromethyl)phenyl]methyl]-1-piperazineacetic acid
A2SV488G98
Acide (4-{(R)-phényl[3-(trifluorométhyl)phényl]méthyl}-1-pipérazinyl)acétique [French] [ACD/IUPAC Name]
tilapertin [INN]
tilapertina [Spanish] [INN]
tilapertine [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9852 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 455.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.3±3.0 kJ/mol
    Flash Point: 229.2±28.7 °C
    Index of Refraction: 1.554
    Molar Refractivity: 95.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.95
    ACD/LogD (pH 5.5): 1.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.97
    ACD/LogD (pH 7.4): 0.92
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.24
    Polar Surface Area: 44 Å2
    Polarizability: 37.7±0.5 10-24cm3
    Surface Tension: 44.0±3.0 dyne/cm
    Molar Volume: 296.4±3.0 cm3

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