Found 10 results

Search term: MF = 'C_{31}H_{26}F_{2}N_{4}O_{3}S'
ChemSpider 2D Image | N-{3-(Benzylsulfanyl)-1-[(5-hydroxy-1-naphthyl)amino]-1-oxo-2-propanyl}-5-(2,5-difluorophenyl)-1-methyl-1H-pyrazole-3-carboxamide | C31H26F2N4O3S

N-{3-(Benzylsulfanyl)-1-[(5-hydroxy-1-naphthyl)amino]-1-oxo-2-propanyl}-5-(2,5-difluorophenyl)-1-methyl-1H-pyrazole-3-carboxamide

  • Molecular FormulaC31H26F2N4O3S
  • Average mass572.625 Da
  • Monoisotopic mass572.169373 Da
  • ChemSpider ID120879100

More details:

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

1H-Pyrazole-3-carboxamide, 5-(2,5-difluorophenyl)-N-[2-[(5-hydroxy-1-naphthalenyl)amino]-2-oxo-1-[[(phenylmethyl)thio]methyl]ethyl]-1-methyl- [ACD/Index Name]
N-{3-(Benzylsulfanyl)-1-[(5-hydroxy-1-naphthyl)amino]-1-oxo-2-propanyl}-5-(2,5-difluorophenyl)-1-methyl-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
N-{3-(Benzylsulfanyl)-1-[(5-hydroxy-1-naphthyl)amino]-1-oxo-2-propanyl}-5-(2,5-difluorphenyl)-1-methyl-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
N-{3-(Benzylsulfanyl)-1-[(5-hydroxy-1-naphtyl)amino]-1-oxo-2-propanyl}-5-(2,5-difluorophényl)-1-méthyl-1H-pyrazole-3-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: 845.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.0±3.0 kJ/mol
Flash Point: 464.9±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 155.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2688.78
ACD/KOC (pH 5.5): 9414.15
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 215.95
ACD/KOC (pH 7.4): 756.09
Polar Surface Area: 122 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 424.4±7.0 cm3

Click to predict properties on the Chemicalize site


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