ChemSpider 2D Image | 2-{4-[4-Amino-3-(4-{[(4-methylphenyl)carbamoyl]amino}phenyl)thieno[3,2-c]pyridin-7-yl]-1H-pyrazol-1-yl}-N-methylpropanamide | C28H27N7O2S

2-{4-[4-Amino-3-(4-{[(4-methylphenyl)carbamoyl]amino}phenyl)thieno[3,2-c]pyridin-7-yl]-1H-pyrazol-1-yl}-N-methylpropanamide

  • Molecular FormulaC28H27N7O2S
  • Average mass525.625 Da
  • Monoisotopic mass525.194702 Da
  • ChemSpider ID24809084

More details:

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

1H-Pyrazole-1-acetamide, 4-[4-amino-3-[4-[[[(4-methylphenyl)amino]carbonyl]amino]phenyl]thieno[3,2-c]pyridin-7-yl]-N,α-dimethyl- [ACD/Index Name]
2-{4-[4-Amino-3-(4-{[(4-methylphenyl)carbamoyl]amino}phenyl)thieno[3,2-c]pyridin-7-yl]-1H-pyrazol-1-yl}-N-methylpropanamid [German] [ACD/IUPAC Name]
2-{4-[4-Amino-3-(4-{[(4-methylphenyl)carbamoyl]amino}phenyl)thieno[3,2-c]pyridin-7-yl]-1H-pyrazol-1-yl}-N-methylpropanamide [ACD/IUPAC Name]
2-{4-[4-Amino-3-(4-{[(4-méthylphényl)carbamoyl]amino}phényl)thiéno[3,2-c]pyridin-7-yl]-1H-pyrazol-1-yl}-N-méthylpropanamide [French] [ACD/IUPAC Name]
Kinome_454

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

Density: 1.4±0.1 g/cm3
Boiling Point: 740.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.8±32.9 °C
Index of Refraction: 1.719
Molar Refractivity: 148.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 223.17
ACD/KOC (pH 5.5): 1254.37
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 596.68
ACD/KOC (pH 7.4): 3353.70
Polar Surface Area: 155 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 57.5±7.0 dyne/cm
Molar Volume: 377.7±7.0 cm3

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