ChemSpider 2D Image | 3-({5-Bromo-2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}amino)benzamide | C15H14BrN7O

3-({5-Bromo-2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}amino)benzamide

  • Molecular FormulaC15H14BrN7O
  • Average mass388.222 Da
  • Monoisotopic mass387.044312 Da
  • ChemSpider ID24808885

More details:

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

3-({5-Brom-2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}amino)benzamid [German] [ACD/IUPAC Name]
3-({5-Bromo-2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}amino)benzamide [ACD/IUPAC Name]
3-({5-Bromo-2-[(1-méthyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl}amino)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[[5-bromo-2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]amino]- [ACD/Index Name]
Kinome_1229

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

Density: 1.7±0.1 g/cm3
Boiling Point: 632.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 336.1±34.3 °C
Index of Refraction: 1.753
Molar Refractivity: 93.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.62
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.07
ACD/KOC (pH 5.5): 167.11
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.38
ACD/KOC (pH 7.4): 172.81
Polar Surface Area: 111 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 65.7±7.0 dyne/cm
Molar Volume: 228.6±7.0 cm3

Click to predict properties on the Chemicalize site


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