ChemSpider 2D Image | N-{(1S)-1-[4-({1-[2-(2,2-Difluoroethoxy)-4-pyridinyl]-3-pyrrolidinyl}oxy)phenyl]ethyl}-4-pyridazinecarboxamide | C24H25F2N5O3

N-{(1S)-1-[4-({1-[2-(2,2-Difluoroethoxy)-4-pyridinyl]-3-pyrrolidinyl}oxy)phenyl]ethyl}-4-pyridazinecarboxamide

  • Molecular FormulaC24H25F2N5O3
  • Average mass469.484 Da
  • Monoisotopic mass469.192535 Da
  • ChemSpider ID58889221

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

4-Pyridazinecarboxamide, N-[(1S)-1-[4-[[1-[2-(2,2-difluoroethoxy)-4-pyridinyl]-3-pyrrolidinyl]oxy]phenyl]ethyl]- [ACD/Index Name]
N-{(1S)-1-[4-({1-[2-(2,2-Difluorethoxy)-4-pyridinyl]-3-pyrrolidinyl}oxy)phenyl]ethyl}-4-pyridazincarboxamid [German] [ACD/IUPAC Name]
N-{(1S)-1-[4-({1-[2-(2,2-Difluoroethoxy)-4-pyridinyl]-3-pyrrolidinyl}oxy)phenyl]ethyl}-4-pyridazinecarboxamide [ACD/IUPAC Name]
N-{(1S)-1-[4-({1-[2-(2,2-Difluoroéthoxy)-4-pyridinyl]-3-pyrrolidinyl}oxy)phényl]éthyl}-4-pyridazinecarboxamide [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: 730.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.6±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 121.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.35
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 13.86
ACD/KOC (pH 7.4): 181.94
Polar Surface Area: 89 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 363.2±3.0 cm3

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