ChemSpider 2D Image | IPSU | C23H27N5O2

IPSU

  • Molecular FormulaC23H27N5O2
  • Average mass405.493 Da
  • Monoisotopic mass405.216461 Da
  • ChemSpider ID30837075

More details:

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

1373765-19-5 [RN]
2-(1H-Indol-3-ylmethyl)-9-(4-methoxy-2-pyrimidinyl)-2,9-diazaspiro[5.5]undecan-1-on [German] [ACD/IUPAC Name]
2-(1H-Indol-3-ylmethyl)-9-(4-methoxy-2-pyrimidinyl)-2,9-diazaspiro[5.5]undecan-1-one [ACD/IUPAC Name]
2-(1H-Indol-3-ylméthyl)-9-(4-méthoxy-2-pyrimidinyl)-2,9-diazaspiro[5.5]undécan-1-one [French] [ACD/IUPAC Name]
2-(1H-indol-3-ylmethyl)-9-(4-methoxypyrimidin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
2,9-Diazaspiro[5.5]undecan-1-one, 2-(1H-indol-3-ylmethyl)-9-(4-methoxy-2-pyrimidinyl)- [ACD/Index Name]
2-[(1H-indol-3-yl)methyl]-9-(4-methoxypyrimidin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
IPSU
[1373765-19-5] [RN]
Diarylpropionitrile |

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 5645
      Orexin Receptors Tocris Bioscience 5645
      OX2 receptor antagonist. Exhibits approximately six-fold selectivity for OX2 versus OX1 receptors. Decreases activity and increases sleep time in mice during the active phase, without affecting REM/NR EM balance. Orally bioavailable. Brain penetrant. Tocris Bioscience 5645
      OX2 receptor antagonist. Exhibits approximately six-fold selectivity for OX2 versus OX1 receptors. Decreases activity and increases sleep time in mice during the active phase, without affecting REM/NREM balance. Orally bioavailable. Brain penetrant. Tocris Bioscience 5645
      OX2 receptor antagonist; orally bioavailable Tocris Bioscience 5645
      Peptide Receptors Tocris Bioscience 5645

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

Density: 1.3±0.1 g/cm3
Boiling Point: 702.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 378.4±35.7 °C
Index of Refraction: 1.674
Molar Refractivity: 115.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 65.82
ACD/KOC (pH 5.5): 378.54
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 513.75
ACD/KOC (pH 7.4): 2954.40
Polar Surface Area: 74 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 70.9±5.0 dyne/cm
Molar Volume: 306.5±5.0 cm3

Click to predict properties on the Chemicalize site


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