Found 1 result

Search term: SWWHQLAUNHTMIH-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-{5-[(6-Amino-3-pyridinyl)ethynyl]-1-methyl-1H-pyrazol-3-yl}-3-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}urea | C25H27F3N8O

1-{5-[(6-Amino-3-pyridinyl)ethynyl]-1-methyl-1H-pyrazol-3-yl}-3-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}urea

  • Molecular FormulaC25H27F3N8O
  • Average mass512.530 Da
  • Monoisotopic mass512.226013 Da
  • ChemSpider ID29410445

More details:

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

1-{5-[(6-Amino-3-pyridinyl)ethinyl]-1-methyl-1H-pyrazol-3-yl}-3-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluormethyl)phenyl}harnstoff [German] [ACD/IUPAC Name]
1-{5-[(6-Amino-3-pyridinyl)ethynyl]-1-methyl-1H-pyrazol-3-yl}-3-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}urea [ACD/IUPAC Name]
1-{5-[(6-Amino-3-pyridinyl)éthynyl]-1-méthyl-1H-pyrazol-3-yl}-3-{4-[(4-méthyl-1-pipérazinyl)méthyl]-3-(trifluorométhyl)phényl}urée [French] [ACD/IUPAC Name]
Urea, N-[5-[2-(6-amino-3-pyridinyl)ethynyl]-1-methyl-1H-pyrazol-3-yl]-N'-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 587.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 308.9±30.1 °C
Index of Refraction: 1.628
Molar Refractivity: 134.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.82
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 29.44
ACD/KOC (pH 7.4): 302.00
Polar Surface Area: 104 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 378.0±7.0 cm3

Click to predict properties on the Chemicalize site


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