ChemSpider 2D Image | [4-(2-Chloro-6-fluorobenzyl)-2-methyl-4H-furo[3,2-b]pyrrol-5-yl][4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-1-piperidinyl]methanone | C28H31ClFN3O5

[4-(2-Chloro-6-fluorobenzyl)-2-methyl-4H-furo[3,2-b]pyrrol-5-yl][4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-1-piperidinyl]methanone

  • Molecular FormulaC28H31ClFN3O5
  • Average mass544.014 Da
  • Monoisotopic mass543.193604 Da
  • ChemSpider ID20290329

More details:

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

[4-(2-Chlor-6-fluorbenzyl)-2-methyl-4H-furo[3,2-b]pyrrol-5-yl][4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
[4-(2-Chloro-6-fluorobenzyl)-2-methyl-4H-furo[3,2-b]pyrrol-5-yl][4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-1-piperidinyl]methanone [ACD/IUPAC Name]
[4-(2-Chloro-6-fluorobenzyl)-2-méthyl-4H-furo[3,2-b]pyrrol-5-yl][4-(1,4-dioxa-8-azaspiro[4.5]déc-8-ylcarbonyl)-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrol-5-yl][4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-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: 736.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 398.9±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 138.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 189.83
ACD/KOC (pH 5.5): 1487.53
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 189.83
ACD/KOC (pH 7.4): 1487.53
Polar Surface Area: 77 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 374.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement