ChemSpider 2D Image | N-[1-(2,4-Difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(7-methyl-2-oxo-2H-chromen-4-yl)acetamide | C25H21F2N3O3

N-[1-(2,4-Difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(7-methyl-2-oxo-2H-chromen-4-yl)acetamide

  • Molecular FormulaC25H21F2N3O3
  • Average mass449.449 Da
  • Monoisotopic mass449.155090 Da
  • ChemSpider ID23057325

More details:

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

2H-1-Benzopyran-4-acetamide, N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-7-methyl-2-oxo- [ACD/Index Name]
N-[1-(2,4-Difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(7-methyl-2-oxo-2H-chromen-4-yl)acetamide [ACD/IUPAC Name]
N-[1-(2,4-Difluorophényl)-4,5,6,7-tétrahydro-1H-indazol-4-yl]-2-(7-méthyl-2-oxo-2H-chromén-4-yl)acétamide [French] [ACD/IUPAC Name]
N-[1-(2,4-Difluorphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(7-methyl-2-oxo-2H-chromen-4-yl)acetamid [German] [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: 682.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 366.8±31.5 °C
Index of Refraction: 1.662
Molar Refractivity: 117.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1731.19
ACD/KOC (pH 5.5): 7237.73
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1731.20
ACD/KOC (pH 7.4): 7237.81
Polar Surface Area: 73 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 318.3±7.0 cm3

Click to predict properties on the Chemicalize site


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