ChemSpider 2D Image | cenerimod | C25H31N3O5

cenerimod

  • Molecular FormulaC25H31N3O5
  • Average mass453.531 Da
  • Monoisotopic mass453.226379 Da
  • ChemSpider ID44208823

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-{4-[5-(2-Cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy}-1,2-propandiol [German] [ACD/IUPAC Name]
(2R)-3-{4-[5-(2-Cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy}-1,2-propanediol [ACD/IUPAC Name]
(2R)-3-{4-[5-(2-Cyclopentyl-6-méthoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-éthyl-6-méthylphénoxy}-1,2-propanediol [French] [ACD/IUPAC Name]
1,2-Propanediol, 3-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-, (2R)- [ACD/Index Name]
cenerimod [INN]
cenerimod [Spanish] [INN]
cénérimod [French] [INN]
cenerimodum [Latin] [INN]
Ценеримод [Russian] [INN]
سينيريمود [Arabic] [INN]
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 670.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 359.4±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 123.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 458.67
ACD/KOC (pH 5.5): 2797.09
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 458.67
ACD/KOC (pH 7.4): 2797.10
Polar Surface Area: 111 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 371.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement