ChemSpider 2D Image | 1-(3,4-Dichlorophenyl)-N-[2-(isobutyrylamino)ethyl]-3-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide | C24H22Cl2N4O2S

1-(3,4-Dichlorophenyl)-N-[2-(isobutyrylamino)ethyl]-3-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

  • Molecular FormulaC24H22Cl2N4O2S
  • Average mass501.428 Da
  • Monoisotopic mass500.084045 Da
  • ChemSpider ID29267641

More details:

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

1-(3,4-Dichlorophenyl)-N-[2-(isobutyrylamino)ethyl]-3-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide [ACD/IUPAC Name]
1-(3,4-Dichlorophényl)-N-[2-(isobutyrylamino)éthyl]-3-phényl-1H-thiéno[2,3-c]pyrazole-5-carboxamide [French] [ACD/IUPAC Name]
1-(3,4-Dichlorphenyl)-N-[2-(isobutyrylamino)ethyl]-3-phenyl-1H-thieno[2,3-c]pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
1H-Thieno[2,3-c]pyrazole-5-carboxamide, 1-(3,4-dichlorophenyl)-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-3-phenyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 727.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.8±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 134.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 5.49
ACD/BCF (pH 5.5): 8685.92
ACD/KOC (pH 5.5): 22961.19
ACD/LogD (pH 7.4): 5.49
ACD/BCF (pH 7.4): 8685.90
ACD/KOC (pH 7.4): 22961.14
Polar Surface Area: 104 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 355.4±7.0 cm3

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