ChemSpider 2D Image | [6-Amino-1-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl][4-(hydroxymethyl)-1-piperidinyl]methanone | C26H25Cl2FN4O3

[6-Amino-1-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl][4-(hydroxymethyl)-1-piperidinyl]methanone

  • Molecular FormulaC26H25Cl2FN4O3
  • Average mass531.406 Da
  • Monoisotopic mass530.128784 Da
  • ChemSpider ID119957184

More details:

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

[6-Amino-1-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl][4-(hydroxymethyl)-1-piperidinyl]methanone [ACD/IUPAC Name]
[6-Amino-1-(3,4-dichlorophényl)-4-(4-fluorophényl)-3-méthyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl][4-(hydroxyméthyl)-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
[6-Amino-1-(3,4-dichlorphenyl)-4-(4-fluorphenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl][4-(hydroxymethyl)-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
Methanone, [6-amino-1-(3,4-dichlorophenyl)-4-(4-fluorophenyl)-1,4-dihydro-3-methylpyrano[2,3-c]pyrazol-5-yl][4-(hydroxymethyl)-1-piperidinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 689.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 371.0±31.5 °C
Index of Refraction: 1.688
Molar Refractivity: 134.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 478.86
ACD/KOC (pH 5.5): 2873.19
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 485.56
ACD/KOC (pH 7.4): 2913.37
Polar Surface Area: 94 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 352.8±7.0 cm3

Click to predict properties on the Chemicalize site


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