ChemSpider 2D Image | 2-{5-[(3-Fluorobenzoyl)amino]-3-(2-methyl-3-furyl)-1H-pyrazol-1-yl}ethyl 3-fluorobenzoate | C24H19F2N3O4

2-{5-[(3-Fluorobenzoyl)amino]-3-(2-methyl-3-furyl)-1H-pyrazol-1-yl}ethyl 3-fluorobenzoate

  • Molecular FormulaC24H19F2N3O4
  • Average mass451.422 Da
  • Monoisotopic mass451.134369 Da
  • ChemSpider ID30364264

More details:

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

2-{5-[(3-Fluorbenzoyl)amino]-3-(2-methyl-3-furyl)-1H-pyrazol-1-yl}ethyl-3-fluorbenzoat [German] [ACD/IUPAC Name]
2-{5-[(3-Fluorobenzoyl)amino]-3-(2-methyl-3-furyl)-1H-pyrazol-1-yl}ethyl 3-fluorobenzoate [ACD/IUPAC Name]
3-Fluorobenzoate de 2-{5-[(3-fluorobenzoyl)amino]-3-(2-méthyl-3-furyl)-1H-pyrazol-1-yl}éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-fluoro-, 2-[5-[(3-fluorobenzoyl)amino]-3-(2-methyl-3-furanyl)-1H-pyrazol-1-yl]ethyl ester [ACD/Index Name]
2-[5-(3-FLUOROBENZAMIDO)-3-(2-METHYLFURAN-3-YL)-1H-PYRAZOL-1-YL]ETHYL 3-FLUOROBENZOATE
2-[5-(3-FLUOROBENZAMIDO)-3-(2-METHYLFURAN-3-YL)PYRAZOL-1-YL]ETHYL 3-FLUOROBENZOATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 541.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 281.2±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 117.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2024.31
ACD/KOC (pH 5.5): 8095.17
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2024.35
ACD/KOC (pH 7.4): 8095.31
Polar Surface Area: 86 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 337.2±7.0 cm3

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