ChemSpider 2D Image | N-[1-(2-{[Acetyl(methyl)amino]methyl}phenyl)-4-piperidinyl]-1-(3-amino-1,2-benzoxazol-5-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | C27H28F3N7O3

N-[1-(2-{[Acetyl(methyl)amino]methyl}phenyl)-4-piperidinyl]-1-(3-amino-1,2-benzoxazol-5-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

  • Molecular FormulaC27H28F3N7O3
  • Average mass555.552 Da
  • Monoisotopic mass555.220581 Da
  • ChemSpider ID8328477

More details:

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

1H-Pyrazole-5-carboxamide, N-[1-[2-[(acetylmethylamino)methyl]phenyl]-4-piperidinyl]-1-(3-amino-1,2-benzisoxazol-5-yl)-3-(trifluoromethyl)- [ACD/Index Name]
N-[1-(2-{[Acetyl(methyl)amino]methyl}phenyl)-4-piperidinyl]-1-(3-amino-1,2-benzoxazol-5-yl)-3-(trifluormethyl)-1H-pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
N-[1-(2-{[Acetyl(methyl)amino]methyl}phenyl)-4-piperidinyl]-1-(3-amino-1,2-benzoxazol-5-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide [ACD/IUPAC Name]
N-[1-(2-{[Acétyl(méthyl)amino]méthyl}phényl)-4-pipéridinyl]-1-(3-amino-1,2-benzoxazol-5-yl)-3-(trifluorométhyl)-1H-pyrazole-5-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 776.1±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: 1.657
Molar Refractivity: 140.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.34
ACD/KOC (pH 5.5): 399.90
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.12
ACD/KOC (pH 7.4): 435.33
Polar Surface Area: 123 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 380.6±7.0 cm3

Click to predict properties on the Chemicalize site


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