ChemSpider 2D Image | 3-{[4-(1-Acryloyl-3-piperidinyl)-2-pyrimidinyl]amino}-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide | C31H30F3N7O2

3-{[4-(1-Acryloyl-3-piperidinyl)-2-pyrimidinyl]amino}-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide

  • Molecular FormulaC31H30F3N7O2
  • Average mass589.611 Da
  • Monoisotopic mass589.241333 Da
  • ChemSpider ID71046811

More details:

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

1820684-31-8 [RN]
3-{[4-(1-Acryloyl-3-piperidinyl)-2-pyrimidinyl]amino}-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluormethyl)phenyl]benzamid [German] [ACD/IUPAC Name]
3-{[4-(1-Acryloyl-3-piperidinyl)-2-pyrimidinyl]amino}-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide [ACD/IUPAC Name]
3-{[4-(1-Acryloyl-3-pipéridinyl)-2-pyrimidinyl]amino}-4-méthyl-N-[3-(4-méthyl-1H-imidazol-1-yl)-5-(trifluorométhyl)phényl]benzamide [French] [ACD/IUPAC Name]
4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-({4-[1-(prop-2-enoyl)piperidin-3-yl]pyrimidin-2-yl}amino)benzamide
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-({4-[1-(prop-2-enoyl)piperidin-3-yl]pyrimidin-2-yl}amino)benzamide
Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-[1-(1-oxo-2-propen-1-yl)-3-piperidinyl]-2-pyrimidinyl]amino]- [ACD/Index Name]
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(1-prop-2-enoylpiperidin-3-yl)pyrimidin-2-yl]amino]benzamide
M443

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 157.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1097.82
ACD/KOC (pH 5.5): 4019.59
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2709.19
ACD/KOC (pH 7.4): 9919.53
Polar Surface Area: 105 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 439.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement