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,N-dimethylpropanamide | C29H29N7O2S

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

  • Molecular FormulaC29H29N7O2S
  • Average mass539.651 Da
  • Monoisotopic mass539.210327 Da
  • ChemSpider ID24809091

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,N,α-trimethyl- [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,N-dimethylpropanamid [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,N-dimethylpropanamide [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,N-diméthylpropanamide [French] [ACD/IUPAC Name]
Kinome_430

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

Density: 1.4±0.1 g/cm3
Boiling Point: 708.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.2±32.9 °C
Index of Refraction: 1.701
Molar Refractivity: 154.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 378.65
ACD/KOC (pH 5.5): 1742.63
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1200.37
ACD/KOC (pH 7.4): 5524.38
Polar Surface Area: 146 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 54.8±7.0 dyne/cm
Molar Volume: 398.9±7.0 cm3

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