ChemSpider 2D Image | (1-Cycloheptyl-1H-1,2,3-triazol-4-yl)[2-(4-fluorophenyl)-1-pyrrolidinyl]methanone | C20H25FN4O

(1-Cycloheptyl-1H-1,2,3-triazol-4-yl)[2-(4-fluorophenyl)-1-pyrrolidinyl]methanone

  • Molecular FormulaC20H25FN4O
  • Average mass356.437 Da
  • Monoisotopic mass356.201233 Da
  • ChemSpider ID22143571

More details:

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

(1-Cycloheptyl-1H-1,2,3-triazol-4-yl)[2-(4-fluorophenyl)-1-pyrrolidinyl]methanone [ACD/IUPAC Name]
(1-Cycloheptyl-1H-1,2,3-triazol-4-yl)[2-(4-fluorophényl)-1-pyrrolidinyl]méthanone [French] [ACD/IUPAC Name]
(1-Cycloheptyl-1H-1,2,3-triazol-4-yl)[2-(4-fluorphenyl)-1-pyrrolidinyl]methanon [German] [ACD/IUPAC Name]
Methanone, (1-cycloheptyl-1H-1,2,3-triazol-4-yl)[2-(4-fluorophenyl)-1-pyrrolidinyl]- [ACD/Index Name]
1-cycloheptyl-4-{[2-(4-fluorophenyl)-1-pyrrolidinyl]carbonyl}-1H-1,2,3-triazole

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

Density: 1.3±0.1 g/cm3
Boiling Point: 541.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 281.2±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 99.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 125.02
ACD/KOC (pH 5.5): 1103.12
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 125.02
ACD/KOC (pH 7.4): 1103.12
Polar Surface Area: 51 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 271.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement