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

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

  • Molecular FormulaC30H33FN8O2S
  • Average mass588.699 Da
  • Monoisotopic mass588.243103 Da
  • ChemSpider ID129064510

More details:

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

2-{2-[(2-Ethyl-6-{4-[2-(3-hydroxy-1-azetidinyl)-2-oxoethyl]-1-piperazinyl}imidazo[1,2-a]pyridin-3-yl)(methyl)amino]-5-methyl-1,3-thiazol-4-yl}-5-fluorbenzonitril [German] [ACD/IUPAC Name]
2-{2-[(2-Ethyl-6-{4-[2-(3-hydroxy-1-azetidinyl)-2-oxoethyl]-1-piperazinyl}imidazo[1,2-a]pyridin-3-yl)(methyl)amino]-5-methyl-1,3-thiazol-4-yl}-5-fluorobenzonitrile [ACD/IUPAC Name]
2-{2-[(2-Éthyl-6-{4-[2-(3-hydroxy-1-azétidinyl)-2-oxoéthyl]-1-pipérazinyl}imidazo[1,2-a]pyridin-3-yl)(méthyl)amino]-5-méthyl-1,3-thiazol-4-yl}-5-fluorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[2-[[2-ethyl-6-[4-[2-(3-hydroxy-1-azetidinyl)-2-oxoethyl]-1-piperazinyl]imidazo[1,2-a]pyridin-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: 1.714
Molar Refractivity: 162.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.24
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.32
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 2.96
ACD/KOC (pH 7.4): 41.94
Polar Surface Area: 132 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 413.0±7.0 cm3

Click to predict properties on the Chemicalize site


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