ChemSpider 2D Image | Ethyl 6-[4-({[1-(3,4-difluorophenyl)-3-pyrrolidinyl]methyl}carbamoyl)-1-piperazinyl]nicotinate | C24H29F2N5O3

Ethyl 6-[4-({[1-(3,4-difluorophenyl)-3-pyrrolidinyl]methyl}carbamoyl)-1-piperazinyl]nicotinate

  • Molecular FormulaC24H29F2N5O3
  • Average mass473.516 Da
  • Monoisotopic mass473.223846 Da
  • ChemSpider ID70014065

More details:

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

3-Pyridinecarboxylic acid, 6-[4-[[[[1-(3,4-difluorophenyl)-3-pyrrolidinyl]methyl]amino]carbonyl]-1-piperazinyl]-, ethyl ester [ACD/Index Name]
6-[4-({[1-(3,4-Difluorophényl)-3-pyrrolidinyl]méthyl}carbamoyl)-1-pipérazinyl]nicotinate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-[4-({[1-(3,4-difluorophenyl)-3-pyrrolidinyl]methyl}carbamoyl)-1-piperazinyl]nicotinate [ACD/IUPAC Name]
Ethyl-6-[4-({[1-(3,4-difluorphenyl)-3-pyrrolidinyl]methyl}carbamoyl)-1-piperazinyl]nicotinat [German] [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: 702.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 378.5±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 121.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 15.01
ACD/KOC (pH 5.5): 124.48
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 138.87
ACD/KOC (pH 7.4): 1151.82
Polar Surface Area: 78 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 368.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement