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Search term: MOPAGKWBFUICQT-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | [3-({4-[(2-Methyl-2-propanyl)oxy]phenoxy}methyl)-3,4-dihydro-2(1H)-isoquinolinyl](1-naphthyl)methanone | C31H31NO3

[3-({4-[(2-Methyl-2-propanyl)oxy]phenoxy}methyl)-3,4-dihydro-2(1H)-isoquinolinyl](1-naphthyl)methanone

  • Molecular FormulaC31H31NO3
  • Average mass465.583 Da
  • Monoisotopic mass465.230408 Da
  • ChemSpider ID28508269

More details:

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

[3-({4-[(2-Methyl-2-propanyl)oxy]phenoxy}methyl)-3,4-dihydro-2(1H)-isochinolinyl](1-naphthyl)methanon [German] [ACD/IUPAC Name]
[3-({4-[(2-Méthyl-2-propanyl)oxy]phénoxy}méthyl)-3,4-dihydro-2(1H)-isoquinoléinyl](1-naphtyl)méthanone [French] [ACD/IUPAC Name]
[3-({4-[(2-Methyl-2-propanyl)oxy]phenoxy}methyl)-3,4-dihydro-2(1H)-isoquinolinyl](1-naphthyl)methanone [ACD/IUPAC Name]
Methanone, [3-[[4-(1,1-dimethylethoxy)phenoxy]methyl]-3,4-dihydro-2(1H)-isoquinolinyl]-1-naphthalenyl- [ACD/Index Name]
[1380548-02-6] [RN]
[3-[[4-(1,1-Dimethylethoxy)phenoxy]methyl]-3,4-dihydro-2(1H)-isoquinolinyl]-1-naphthalenylmethanone
1380548-02-6 [RN]
SR 10067
SR10067
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Nuclear Receptors Tocris Bioscience 6038
      Rev-Erb Receptors Tocris Bioscience 6038
      Selective Rev-Erbalpha/beta agonist (IC50 values are 160 and 170 nM for Rev-Erbbeta and Rev-Erbalpha respectively). Exhibits no significant activity against a wide range of nuclear receptors, other receptors, ion channels and transporters at 20 muM. Increases wakefulness, reduces REM and slow wave sleep in vivo. Also reduces anxiety-like behavior in marble-burying assay. Cell permeable and brain penetrant. Tocris Bioscience 6038
      Selective Rev-Erbalpha/beta agonist; anxiolytic Tocris Bioscience 6038

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

Density: 1.2±0.1 g/cm3
Boiling Point: 648.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 345.7±30.1 °C
Index of Refraction: 1.620
Molar Refractivity: 141.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.48
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 45769.12
ACD/KOC (pH 5.5): 75443.22
ACD/LogD (pH 7.4): 6.43
ACD/BCF (pH 7.4): 45769.12
ACD/KOC (pH 7.4): 75443.22
Polar Surface Area: 39 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 401.5±3.0 cm3

Click to predict properties on the Chemicalize site


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