ChemSpider 2D Image | LSM-2536 | C27H32N6O3

LSM-2536

  • Molecular FormulaC27H32N6O3
  • Average mass488.581 Da
  • Monoisotopic mass488.253601 Da
  • ChemSpider ID26340894

More details:

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

LSM-2536
N-{3-[4-(4-Methoxyphenyl)-1-piperazinyl]propyl}-2-(1-methyl-6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl)acetamid [German] [ACD/IUPAC Name]
N-{3-[4-(4-Methoxyphenyl)-1-piperazinyl]propyl}-2-(1-methyl-6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl)acetamide [ACD/IUPAC Name]
N-{3-[4-(4-Méthoxyphényl)-1-pipérazinyl]propyl}-2-(1-méthyl-6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl)acétamide [French] [ACD/IUPAC Name]
Pyrido[2,3-e]pyrrolo[1,2-a]pyrazine-5(6H)-acetamide, N-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-1-methyl-6-oxo- [ACD/Index Name]
[1355244-02-8] [RN]
1355244-02-8 [RN]
BMS-466442
cid_44665680
MFCD27991281
More...

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 4866
      Kappa Opioid Receptors Tocris Bioscience 4866
      Opioid Receptors Tocris Bioscience 4866
      Selective ? opioid receptor (KOP) antagonist (IC50 = 120 nM in a ?-arrestin assay); displays >267-fold selectivity over ? and ? opioid receptors. Tocris Bioscience 4866
      Selective ? opioid receptor antagonist Tocris Bioscience 4866
      Selective kappa opioid receptor (KOP) antagonist (IC50 = 120 nM in a beta-arrestin assay); displays >267-fold selectivity over mu and delta opioid receptors. Tocris Bioscience 4866
      Selective kappa opioid receptor antagonist Tocris Bioscience 4866

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

Density: 1.3±0.1 g/cm3
Boiling Point: 776.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 423.2±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 138.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.75
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 14.33
ACD/KOC (pH 7.4): 195.57
Polar Surface Area: 83 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 376.0±7.0 cm3

Click to predict properties on the Chemicalize site


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