ChemSpider 2D Image | 1-[4-({3-Amino-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]dec-8-yl]-2-pyrazinyl}sulfanyl)-3,3-difluoro-2,3-dihydro-1H-indol-1-yl]ethanone | C22H26F2N6O2S

1-[4-({3-Amino-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]dec-8-yl]-2-pyrazinyl}sulfanyl)-3,3-difluoro-2,3-dihydro-1H-indol-1-yl]ethanone

  • Molecular FormulaC22H26F2N6O2S
  • Average mass476.543 Da
  • Monoisotopic mass476.180603 Da
  • ChemSpider ID115009272

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[4-({3-Amino-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]dec-8-yl]-2-pyrazinyl}sulfanyl)-3,3-difluor-2,3-dihydro-1H-indol-1-yl]ethanon [German] [ACD/IUPAC Name]
1-[4-({3-Amino-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]dec-8-yl]-2-pyrazinyl}sulfanyl)-3,3-difluoro-2,3-dihydro-1H-indol-1-yl]ethanone [ACD/IUPAC Name]
1-[4-({3-Amino-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]déc-8-yl]-2-pyrazinyl}sulfanyl)-3,3-difluoro-2,3-dihydro-1H-indol-1-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[[3-amino-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]dec-8-yl]-2-pyrazinyl]thio]-3,3-difluoro-2,3-dihydro-1H-indol-1-yl]- [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: 732.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 396.9±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.86
Polar Surface Area: 136 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 77.3±5.0 dyne/cm
Molar Volume: 321.3±5.0 cm3

Click to predict properties on the Chemicalize site


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