ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{4-[(2-chlorobenzyl)carbamoyl]-1-(4-fluorophenyl)-1H-pyrazol-5-yl}-1-piperidinecarboxylate | C27H30ClFN4O3

2-Methyl-2-propanyl 4-{4-[(2-chlorobenzyl)carbamoyl]-1-(4-fluorophenyl)-1H-pyrazol-5-yl}-1-piperidinecarboxylate

  • Molecular FormulaC27H30ClFN4O3
  • Average mass513.003 Da
  • Monoisotopic mass512.199036 Da
  • ChemSpider ID21923787

More details:

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

1-Piperidinecarboxylic acid, 4-[4-[[[(2-chlorophenyl)methyl]amino]carbonyl]-1-(4-fluorophenyl)-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{4-[(2-chlorobenzyl)carbamoyl]-1-(4-fluorophenyl)-1H-pyrazol-5-yl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{4-[(2-chlorbenzyl)carbamoyl]-1-(4-fluorphenyl)-1H-pyrazol-5-yl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-{4-[(2-Chlorobenzyl)carbamoyl]-1-(4-fluorophényl)-1H-pyrazol-5-yl}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 657.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 351.2±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 138.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4594.65
ACD/KOC (pH 5.5): 14555.41
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4568.69
ACD/KOC (pH 7.4): 14473.16
Polar Surface Area: 76 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 399.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement