ChemSpider 2D Image | 6-{[(6S)-6-{[4-(2,4-Difluorophenoxy)-1-piperidinyl]carbonyl}-5-azaspiro[2.4]hept-5-yl]carbonyl}hexahydro-3(2H)-indolizinone | C27H33F2N3O4

6-{[(6S)-6-{[4-(2,4-Difluorophenoxy)-1-piperidinyl]carbonyl}-5-azaspiro[2.4]hept-5-yl]carbonyl}hexahydro-3(2H)-indolizinone

  • Molecular FormulaC27H33F2N3O4
  • Average mass501.565 Da
  • Monoisotopic mass501.243927 Da
  • ChemSpider ID127407007

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

3(2H)-Indolizinone, 6-[[(6S)-6-[[4-(2,4-difluorophenoxy)-1-piperidinyl]carbonyl]-5-azaspiro[2.4]hept-5-yl]carbonyl]hexahydro- [ACD/Index Name]
6-{[(6S)-6-{[4-(2,4-Difluorophenoxy)-1-piperidinyl]carbonyl}-5-azaspiro[2.4]hept-5-yl]carbonyl}hexahydro-3(2H)-indolizinone [ACD/IUPAC Name]
6-{[(6S)-6-{[4-(2,4-Difluorophénoxy)-1-pipéridinyl]carbonyl}-5-azaspiro[2.4]hept-5-yl]carbonyl}hexahydro-3(2H)-indolizinone [French] [ACD/IUPAC Name]
6-{[(6S)-6-{[4-(2,4-Difluorphenoxy)-1-piperidinyl]carbonyl}-5-azaspiro[2.4]hept-5-yl]carbonyl}hexahydro-3(2H)-indolizinon [German] [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: 726.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.9±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 127.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.48
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 33.84
ACD/KOC (pH 5.5): 432.86
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 33.84
ACD/KOC (pH 7.4): 432.86
Polar Surface Area: 70 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 365.9±5.0 cm3

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