ChemSpider 2D Image | 4-(2-{[Methyl(2-propyn-1-yl)amino]methyl}-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)benzyl]-4-piperidinol | C21H24F3N3OS

4-(2-{[Methyl(2-propyn-1-yl)amino]methyl}-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)benzyl]-4-piperidinol

  • Molecular FormulaC21H24F3N3OS
  • Average mass423.495 Da
  • Monoisotopic mass423.159210 Da
  • ChemSpider ID64896107

More details:

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

4-(2-{[Methyl(2-propin-1-yl)amino]methyl}-1,3-thiazol-4-yl)-1-[2-(trifluormethyl)benzyl]-4-piperidinol [German] [ACD/IUPAC Name]
4-(2-{[Methyl(2-propyn-1-yl)amino]methyl}-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)benzyl]-4-piperidinol [ACD/IUPAC Name]
4-(2-{[Méthyl(2-propyn-1-yl)amino]méthyl}-1,3-thiazol-4-yl)-1-[2-(trifluorométhyl)benzyl]-4-pipéridinol [French] [ACD/IUPAC Name]
4-Piperidinol, 4-[2-[(methyl-2-propyn-1-ylamino)methyl]-4-thiazolyl]-1-[[2-(trifluoromethyl)phenyl]methyl]- [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: 518.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 267.3±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 108.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 2.97
ACD/KOC (pH 5.5): 34.45
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 41.34
ACD/KOC (pH 7.4): 479.20
Polar Surface Area: 68 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 325.0±3.0 cm3

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