ChemSpider 2D Image | Mavatrep | C25H21F3N2O

Mavatrep

  • Molecular FormulaC25H21F3N2O
  • Average mass422.442 Da
  • Monoisotopic mass422.160583 Da
  • ChemSpider ID29271895
  • Double-bond stereo - Double-bond stereo


More details:



Featured data source



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

2-[2-(2-{(E)-2-[4-(Trifluormethyl)phenyl]vinyl}-1H-benzimidazol-5-yl)phenyl]-2-propanol [German] [ACD/IUPAC Name]
2-[2-(2-{(E)-2-[4-(Trifluoromethyl)phenyl]vinyl}-1H-benzimidazol-5-yl)phenyl]-2-propanol [ACD/IUPAC Name]
2-[2-(2-{(E)-2-[4-(Trifluorométhyl)phényl]vinyl}-1H-benzimidazol-5-yl)phényl]-2-propanol [French] [ACD/IUPAC Name]
956274-94-5 [RN]
9808
Benzenemethanol, α,α-dimethyl-2-[2-[(1E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-6-yl]
Benzenemethanol, α,α-dimethyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]- [ACD/Index Name]
E)-2-(2-{2-[2-(4-trifluoromethyl-phenyl)-vinyl]-1H-benzimidazol-5-yl}-phenyl)-propan-2-ol
JNJ-39439335
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

F197218T99 [DBID]
UNII:F197218T99 [DBID]
UNII-F197218T99 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Mavatrep is an orally bioavailable TRPV1 antagonist (Ki=6.5 nM), exhibits minimal effect on the enzymatic activity (IC50 > 25 ?M) of CYP isoforms 3A4, 1A2, and 2D6.; IC50 value: 6.5 nM (Ki, for TRPV1); Target: TRPV1; in vitro: Mavatrep exhibits superior pharmacodynamic properties. MedChem Express HY-16935
      Membrane Tranporter/Ion Channel MedChem Express HY-16935
      Membrane Tranporter/Ion Channel; MedChem Express HY-16935
      TRP Channel MedChem Express HY-16935

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 612.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 324.0±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 118.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 12868.48
ACD/KOC (pH 5.5): 28462.23
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 16205.96
ACD/KOC (pH 7.4): 35844.02
Polar Surface Area: 49 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 324.8±3.0 cm3

Click to predict properties on the Chemicalize site






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