ChemSpider 2D Image | (3aR,7aS)-5-(3,5-Dichloro-2-pyridinyl)-1-isopropyloctahydro-2H-imidazo[4,5-c]pyridin-2-one | C14H18Cl2N4O

(3aR,7aS)-5-(3,5-Dichloro-2-pyridinyl)-1-isopropyloctahydro-2H-imidazo[4,5-c]pyridin-2-one

  • Molecular FormulaC14H18Cl2N4O
  • Average mass329.225 Da
  • Monoisotopic mass328.085754 Da
  • ChemSpider ID54827006

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,7aS)-5-(3,5-Dichlor-2-pyridinyl)-1-isopropyloctahydro-2H-imidazo[4,5-c]pyridin-2-on [German] [ACD/IUPAC Name]
(3aR,7aS)-5-(3,5-Dichloro-2-pyridinyl)-1-isopropyloctahydro-2H-imidazo[4,5-c]pyridin-2-one [ACD/IUPAC Name]
(3aR,7aS)-5-(3,5-Dichloro-2-pyridinyl)-1-isopropyloctahydro-2H-imidazo[4,5-c]pyridin-2-one [French] [ACD/IUPAC Name]
2H-Imidazo[4,5-c]pyridin-2-one, 5-(3,5-dichloro-2-pyridinyl)octahydro-1-(1-methylethyl)-, (3aR,7aS)- [ACD/Index 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: 534.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.2±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 82.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 243.67
ACD/KOC (pH 5.5): 1766.28
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 249.63
ACD/KOC (pH 7.4): 1809.49
Polar Surface Area: 48 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 248.8±3.0 cm3

Click to predict properties on the Chemicalize site


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