ChemSpider 2D Image | 2-{5-(2-Chloro-5-methoxyphenyl)-3-[(3,4-difluorophenyl)carbamoyl]-1H-pyrazol-1-yl}ethyl acetate | C21H18ClF2N3O4

2-{5-(2-Chloro-5-methoxyphenyl)-3-[(3,4-difluorophenyl)carbamoyl]-1H-pyrazol-1-yl}ethyl acetate

  • Molecular FormulaC21H18ClF2N3O4
  • Average mass449.835 Da
  • Monoisotopic mass449.095398 Da
  • ChemSpider ID67574049

More details:

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

1H-Pyrazole-3-carboxamide, 1-[2-(acetyloxy)ethyl]-5-(2-chloro-5-methoxyphenyl)-N-(3,4-difluorophenyl)- [ACD/Index Name]
2-{5-(2-Chlor-5-methoxyphenyl)-3-[(3,4-difluorphenyl)carbamoyl]-1H-pyrazol-1-yl}ethyl-acetat [German] [ACD/IUPAC Name]
2-{5-(2-Chloro-5-methoxyphenyl)-3-[(3,4-difluorophenyl)carbamoyl]-1H-pyrazol-1-yl}ethyl acetate [ACD/IUPAC Name]
Acétate de 2-{5-(2-chloro-5-méthoxyphényl)-3-[(3,4-difluorophényl)carbamoyl]-1H-pyrazol-1-yl}éthyle [French] [ACD/IUPAC 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: 511.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 262.8±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 110.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 429.81
ACD/KOC (pH 5.5): 2669.84
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 425.77
ACD/KOC (pH 7.4): 2644.74
Polar Surface Area: 82 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 326.0±7.0 cm3

Click to predict properties on the Chemicalize site


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