ChemSpider 2D Image | 3-(1,3-Dimethyl-1H-pyrazol-4-yl)-1-[4-(4-pyridinylmethyl)-2,3,4,5,7,8,9,10-octahydro-1'H-spiro[1,4-benzoxazacyclododecine-6,4'-piperidin]-1'-yl]-1-propanone | C32H43N5O2

3-(1,3-Dimethyl-1H-pyrazol-4-yl)-1-[4-(4-pyridinylmethyl)-2,3,4,5,7,8,9,10-octahydro-1'H-spiro[1,4-benzoxazacyclododecine-6,4'-piperidin]-1'-yl]-1-propanone

  • Molecular FormulaC32H43N5O2
  • Average mass529.716 Da
  • Monoisotopic mass529.341675 Da
  • ChemSpider ID77199039

More details:

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

1-Propanone, 3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-[2,3,4,5,7,8,9,10-octahydro-4-(4-pyridinylmethyl)spiro[6H-1,4-benzoxaazacyclododecine-6,4'-piperidin]-1'-yl]- [ACD/Index Name]
3-(1,3-Dimethyl-1H-pyrazol-4-yl)-1-[4-(4-pyridinylmethyl)-2,3,4,5,7,8,9,10-octahydro-1'H-spiro[1,4-benzoxazacyclododecine-6,4'-piperidin]-1'-yl]-1-propanon [German] [ACD/IUPAC Name]
3-(1,3-Dimethyl-1H-pyrazol-4-yl)-1-[4-(4-pyridinylmethyl)-2,3,4,5,7,8,9,10-octahydro-1'H-spiro[1,4-benzoxazacyclododecine-6,4'-piperidin]-1'-yl]-1-propanone [ACD/IUPAC Name]
3-(1,3-Diméthyl-1H-pyrazol-4-yl)-1-[4-(4-pyridinylméthyl)-2,3,4,5,7,8,9,10-octahydro-1'H-spiro[1,4-benzoxazacyclododecine-6,4'-piperidin]-1'-yl]-1-propanone [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 719.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 388.7±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 157.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 316.96
ACD/KOC (pH 5.5): 1096.78
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3029.03
ACD/KOC (pH 7.4): 10481.21
Polar Surface Area: 63 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 453.6±7.0 cm3

Click to predict properties on the Chemicalize site


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