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Search term: NPUWKDPBMLZNJM-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-(4-{[3-({[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]acetyl}amino)benzyl]oxy}phenyl)-1-methyl-1H-pyrazole-4-carboxamide | C26H26N6O3S

N-(4-{[3-({[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]acetyl}amino)benzyl]oxy}phenyl)-1-methyl-1H-pyrazole-4-carboxamide

  • Molecular FormulaC26H26N6O3S
  • Average mass502.588 Da
  • Monoisotopic mass502.178711 Da
  • ChemSpider ID90621223

More details:

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

1H-Pyrazole-4-carboxamide, N-[4-[[3-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetyl]amino]phenyl]methoxy]phenyl]-1-methyl- [ACD/Index Name]
N-(4-{[3-({[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]acetyl}amino)benzyl]oxy}phenyl)-1-methyl-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
N-(4-{[3-({[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]acetyl}amino)benzyl]oxy}phenyl)-1-methyl-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
N-(4-{[3-({2-[(4,6-Diméthyl-2-pyrimidinyl)sulfanyl]acétyl}amino)benzyl]oxy}phényl)-1-méthyl-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 693.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.2±31.5 °C
Index of Refraction: 1.660
Molar Refractivity: 141.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 272.78
ACD/KOC (pH 5.5): 1928.17
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 272.81
ACD/KOC (pH 7.4): 1928.37
Polar Surface Area: 136 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 383.8±7.0 cm3

Click to predict properties on the Chemicalize site


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