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Search term: IWFCNIDUKUQMFM-ZDUSSCGKSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | [(5S)-3,3-Difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-piperidinyl](4-fluorophenyl)methanone | C18H16F3N5O

[(5S)-3,3-Difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-piperidinyl](4-fluorophenyl)methanone

  • Molecular FormulaC18H16F3N5O
  • Average mass375.348 Da
  • Monoisotopic mass375.130707 Da
  • ChemSpider ID59053238

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(5S)-3,3-Difluor-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-piperidinyl](4-fluorphenyl)methanon [German] [ACD/IUPAC Name]
[(5S)-3,3-Difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-piperidinyl](4-fluorophenyl)methanone [ACD/IUPAC Name]
[(5S)-3,3-Difluoro-5-(5-méthyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-pipéridinyl](4-fluorophényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-piperidinyl](4-fluorophenyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.654
Molar Refractivity: 93.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.49
ACD/KOC (pH 5.5): 132.68
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.49
ACD/KOC (pH 7.4): 132.70
Polar Surface Area: 63 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 254.4±7.0 cm3

Click to predict properties on the Chemicalize site


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