ChemSpider 2D Image | (3R)-3-{[1-(6-Chloro-3-pyridazinyl)-4-piperidinyl]amino}-1-(4-propoxyphenyl)-2,5-pyrrolidinedione | C22H26ClN5O3

(3R)-3-{[1-(6-Chloro-3-pyridazinyl)-4-piperidinyl]amino}-1-(4-propoxyphenyl)-2,5-pyrrolidinedione

  • Molecular FormulaC22H26ClN5O3
  • Average mass443.927 Da
  • Monoisotopic mass443.172424 Da
  • ChemSpider ID62519732

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-{[1-(6-Chlor-3-pyridazinyl)-4-piperidinyl]amino}-1-(4-propoxyphenyl)-2,5-pyrrolidindion [German] [ACD/IUPAC Name]
(3R)-3-{[1-(6-Chloro-3-pyridazinyl)-4-piperidinyl]amino}-1-(4-propoxyphenyl)-2,5-pyrrolidinedione [ACD/IUPAC Name]
(3R)-3-{[1-(6-Chloro-3-pyridazinyl)-4-pipéridinyl]amino}-1-(4-propoxyphényl)-2,5-pyrrolidinedione [French] [ACD/IUPAC Name]
2,5-Pyrrolidinedione, 3-[[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]amino]-1-(4-propoxyphenyl)-, (3R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 738.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.4±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 116.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.48
ACD/KOC (pH 5.5): 231.19
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.49
ACD/KOC (pH 7.4): 247.39
Polar Surface Area: 88 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 325.8±5.0 cm3

Click to predict properties on the Chemicalize site


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