ChemSpider 2D Image | 2-{2-[(2-Ethyl-6-{1-[2-(3-hydroxy-1-azetidinyl)-2-oxoethyl]-4-piperidinyl}imidazo[1,2-b]pyridazin-3-yl)(methyl)amino]-5-methyl-1,3-thiazol-4-yl}-5-fluorobenzonitrile | C30H33FN8O2S

2-{2-[(2-Ethyl-6-{1-[2-(3-hydroxy-1-azetidinyl)-2-oxoethyl]-4-piperidinyl}imidazo[1,2-b]pyridazin-3-yl)(methyl)amino]-5-methyl-1,3-thiazol-4-yl}-5-fluorobenzonitrile

  • Molecular FormulaC30H33FN8O2S
  • Average mass588.699 Da
  • Monoisotopic mass588.243103 Da
  • ChemSpider ID128988900

More details:

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

2-{2-[(2-Ethyl-6-{1-[2-(3-hydroxy-1-azetidinyl)-2-oxoethyl]-4-piperidinyl}imidazo[1,2-b]pyridazin-3-yl)(methyl)amino]-5-methyl-1,3-thiazol-4-yl}-5-fluorbenzonitril [German] [ACD/IUPAC Name]
2-{2-[(2-Ethyl-6-{1-[2-(3-hydroxy-1-azetidinyl)-2-oxoethyl]-4-piperidinyl}imidazo[1,2-b]pyridazin-3-yl)(methyl)amino]-5-methyl-1,3-thiazol-4-yl}-5-fluorobenzonitrile [ACD/IUPAC Name]
2-{2-[(2-Éthyl-6-{1-[2-(3-hydroxy-1-azétidinyl)-2-oxoéthyl]-4-pipéridinyl}imidazo[1,2-b]pyridazin-3-yl)(méthyl)amino]-5-méthyl-1,3-thiazol-4-yl}-5-fluorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[2-[[2-ethyl-6-[1-[2-(3-hydroxy-1-azetidinyl)-2-oxoethyl]-4-piperidinyl]imidazo[1,2-b]pyridazin-3-yl]methylamino]-5-methyl-4-thiazolyl]-5-fluoro- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.723
Molar Refractivity: 161.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.55
ACD/KOC (pH 5.5): 21.37
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 22.79
ACD/KOC (pH 7.4): 314.37
Polar Surface Area: 142 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 406.9±7.0 cm3

Click to predict properties on the Chemicalize site


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