ChemSpider 2D Image | 5-({(Z)-2-[8-(3,5-Difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]dec-9-yl]-1-hydroxyvinyl}amino)-1,3-dihydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one | C31H29F2N5O3

5-({(Z)-2-[8-(3,5-Difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]dec-9-yl]-1-hydroxyvinyl}amino)-1,3-dihydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one

  • Molecular FormulaC31H29F2N5O3
  • Average mass557.591 Da
  • Monoisotopic mass557.223816 Da
  • ChemSpider ID95757755

  • Double-bond stereo - Double-bond stereo

More details:

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

5-({(Z)-2-[8-(3,5-Difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]dec-9-yl]-1-hydroxyvinyl}amino)-1,3-dihydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one [ACD/IUPAC Name]
Spiro[2H-indene-2,3'-[3H]pyrrolo[2,3-b]pyridin]-2'(1'H)-one, 5-[[(Z)-2-[8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]dec-9-yl]-1-hydroxyethenyl]amino]-1,3-dihydro- [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: 762.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 414.8±32.9 °C
Index of Refraction: 1.711
Molar Refractivity: 147.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 11.41
ACD/KOC (pH 5.5): 73.91
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 263.49
ACD/KOC (pH 7.4): 1707.11
Polar Surface Area: 107 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 76.4±5.0 dyne/cm
Molar Volume: 376.2±5.0 cm3

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