ChemSpider 2D Image | 4-{3-[(2,4,4-Trimethyl-2-pentanyl)amino]imidazo[1,2-a]pyridin-2-yl}phenyl 4-chloro-3-nitrobenzenesulfonate | C27H29ClN4O5S

4-{3-[(2,4,4-Trimethyl-2-pentanyl)amino]imidazo[1,2-a]pyridin-2-yl}phenyl 4-chloro-3-nitrobenzenesulfonate

  • Molecular FormulaC27H29ClN4O5S
  • Average mass557.061 Da
  • Monoisotopic mass556.154724 Da
  • ChemSpider ID3763101

More details:

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

4-{3-[(2,4,4-Trimethyl-2-pentanyl)amino]imidazo[1,2-a]pyridin-2-yl}phenyl 4-chloro-3-nitrobenzenesulfonate [ACD/IUPAC Name]
4-{3-[(2,4,4-Trimethyl-2-pentanyl)amino]imidazo[1,2-a]pyridin-2-yl}phenyl-4-chlor-3-nitrobenzolsulfonat [German] [ACD/IUPAC Name]
4-Chloro-3-nitrobenzènesulfonate de 4-{3-[(2,4,4-triméthyl-2-pentanyl)amino]imidazo[1,2-a]pyridin-2-yl}phényle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-chloro-3-nitro-, 4-[3-[(1,1,3,3-tetramethylbutyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl ester [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.623
Molar Refractivity: 148.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.01
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 2716.86
ACD/KOC (pH 5.5): 3369.39
ACD/LogD (pH 7.4): 6.79
ACD/BCF (pH 7.4): 75174.08
ACD/KOC (pH 7.4): 93229.22
Polar Surface Area: 127 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 420.6±7.0 cm3

Click to predict properties on the Chemicalize site


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