ChemSpider 2D Image | [6-Amino-1-(2-chloro-6-fluorobenzyl)-4-(5-chloro-2-hydroxyphenyl)-3-ethyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl](1-pyrrolidinyl)methanone | C26H25Cl2FN4O3

[6-Amino-1-(2-chloro-6-fluorobenzyl)-4-(5-chloro-2-hydroxyphenyl)-3-ethyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl](1-pyrrolidinyl)methanone

  • Molecular FormulaC26H25Cl2FN4O3
  • Average mass531.406 Da
  • Monoisotopic mass530.128784 Da
  • ChemSpider ID119805790

More details:

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

[6-Amino-1-(2-chlor-6-fluorbenzyl)-4-(5-chlor-2-hydroxyphenyl)-3-ethyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl](1-pyrrolidinyl)methanon [German] [ACD/IUPAC Name]
[6-Amino-1-(2-chloro-6-fluorobenzyl)-4-(5-chloro-2-hydroxyphenyl)-3-ethyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl](1-pyrrolidinyl)methanone [ACD/IUPAC Name]
[6-Amino-1-(2-chloro-6-fluorobenzyl)-4-(5-chloro-2-hydroxyphényl)-3-éthyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl](1-pyrrolidinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [6-amino-1-[(2-chloro-6-fluorophenyl)methyl]-4-(5-chloro-2-hydroxyphenyl)-3-ethyl-1,4-dihydropyrano[2,3-c]pyrazol-5-yl]-1-pyrrolidinyl- [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: 654.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 349.3±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: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 967.20
ACD/KOC (pH 5.5): 4750.00
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 954.68
ACD/KOC (pH 7.4): 4688.50
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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