ChemSpider 2D Image | 4-Methyl-1'-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-3,4,8,9,10,11-hexahydro-7H-spiro[1,4-benzoxazacyclotridecine-6,4'-piperidin]-5(2H)-one | C26H33F3N4O3

4-Methyl-1'-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-3,4,8,9,10,11-hexahydro-7H-spiro[1,4-benzoxazacyclotridecine-6,4'-piperidin]-5(2H)-one

  • Molecular FormulaC26H33F3N4O3
  • Average mass506.560 Da
  • Monoisotopic mass506.250488 Da
  • ChemSpider ID80807396

More details:

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

4-Methyl-1'-{[3-(trifluormethyl)-1H-pyrazol-1-yl]acetyl}-3,4,8,9,10,11-hexahydro-7H-spiro[1,4-benzoxazacyclotridecine-6,4'-piperidin]-5(2H)-on [German] [ACD/IUPAC Name]
4-Methyl-1'-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-3,4,8,9,10,11-hexahydro-7H-spiro[1,4-benzoxazacyclotridecine-6,4'-piperidin]-5(2H)-one [ACD/IUPAC Name]
4-Méthyl-1'-{2-[3-(trifluorométhyl)-1H-pyrazol-1-yl]acétyl}-3,4,8,9,10,11-hexahydro-7H-spiro[1,4-benzoxazacyclotridecine-6,4'-piperidin]-5(2H)-one [French] [ACD/IUPAC Name]
Spiro[1,4-benzoxaazacyclotridecine-6(7H),4'-piperidin]-5(2H)-one, 3,4,8,9,10,11-hexahydro-4-methyl-1'-[2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]- [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: 669.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.9±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 130.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1074.72
ACD/KOC (pH 5.5): 5145.20
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1074.73
ACD/KOC (pH 7.4): 5145.21
Polar Surface Area: 68 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 393.3±7.0 cm3

Click to predict properties on the Chemicalize site


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