ChemSpider 2D Image | 4,4,4-Trifluoro-1-{4-[2-({4-[(5-methyl-2,5-diazaspiro[3.4]oct-2-yl)carbonyl]phenyl}amino)[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-1(2H)-pyridinyl}-1-butanone | C29H32F3N7O2

4,4,4-Trifluoro-1-{4-[2-({4-[(5-methyl-2,5-diazaspiro[3.4]oct-2-yl)carbonyl]phenyl}amino)[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-1(2H)-pyridinyl}-1-butanone

  • Molecular FormulaC29H32F3N7O2
  • Average mass567.605 Da
  • Monoisotopic mass567.256958 Da
  • ChemSpider ID128994198

More details:

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

1-Butanone, 1-[3,6-dihydro-4-[2-[[4-[(5-methyl-2,5-diazaspiro[3.4]oct-2-yl)carbonyl]phenyl]amino][1,2,4]triazolo[1,5-a]pyridin-8-yl]-1(2H)-pyridinyl]-4,4,4-trifluoro- [ACD/Index Name]
4,4,4-Trifluor-1-{4-[2-({4-[(5-methyl-2,5-diazaspiro[3.4]oct-2-yl)carbonyl]phenyl}amino)[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-1(2H)-pyridinyl}-1-butanon [German] [ACD/IUPAC Name]
4,4,4-Trifluoro-1-{4-[2-({4-[(5-methyl-2,5-diazaspiro[3.4]oct-2-yl)carbonyl]phenyl}amino)[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-1(2H)-pyridinyl}-1-butanone [ACD/IUPAC Name]
4,4,4-Trifluoro-1-{4-[2-({4-[(5-méthyl-2,5-diazaspiro[3.4]oct-2-yl)carbonyl]phényl}amino)[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-1(2H)-pyridinyl}-1-butanone [French] [ACD/IUPAC 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: 1.667
Molar Refractivity: 148.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.85
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 9.40
ACD/KOC (pH 7.4): 99.57
Polar Surface Area: 86 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 397.9±7.0 cm3

Click to predict properties on the Chemicalize site


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