ChemSpider 2D Image | 4-[4-(3,4-Difluorophenyl)-2-pyrimidinyl]-N-(3-pyridazinyl)-1-piperazinecarboxamide | C19H17F2N7O

4-[4-(3,4-Difluorophenyl)-2-pyrimidinyl]-N-(3-pyridazinyl)-1-piperazinecarboxamide

  • Molecular FormulaC19H17F2N7O
  • Average mass397.381 Da
  • Monoisotopic mass397.146271 Da
  • ChemSpider ID31140238

More details:

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

1-Piperazinecarboxamide, 4-[4-(3,4-difluorophenyl)-2-pyrimidinyl]-N-3-pyridazinyl- [ACD/Index Name]
4-[4-(3,4-Difluorophenyl)-2-pyrimidinyl]-N-(3-pyridazinyl)-1-piperazinecarboxamide [ACD/IUPAC Name]
4-[4-(3,4-Difluorophényl)-2-pyrimidinyl]-N-(3-pyridazinyl)-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
4-[4-(3,4-Difluorphenyl)-2-pyrimidinyl]-N-(3-pyridazinyl)-1-piperazincarboxamid [German] [ACD/IUPAC Name]
[1143578-94-2] [RN]
1143578-94-2 [RN]
4-[4-(3,4-Difluorophenyl)-2-pyrimidinyl]-N-3-pyridazinyl-1-piperazinecarboxamide
acetic acid, ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)
MFCD30182269
TAK 21d
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    • Bio Activity:

      Enzymes Tocris Bioscience 5209
      Fatty Acid Amide Hydrolase (FAAH) Tocris Bioscience 5209
      Hydrolases Tocris Bioscience 5209
      Potent FAAH inhibitor Tocris Bioscience 5209
      Potent FAAH inhibitor; (IC50 values are 0.28 and 0.72 nM, at rat and human FAAH respectively). Displays analgesic effects in vivo models of neuropathic and inflammatory pain. Brain penetrant. Tocris Bioscience 5209

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 100.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.54
ACD/KOC (pH 5.5): 319.14
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.67
ACD/KOC (pH 7.4): 335.06
Polar Surface Area: 87 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 69.8±3.0 dyne/cm
Molar Volume: 278.0±3.0 cm3

Click to predict properties on the Chemicalize site


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