ChemSpider 2D Image | ML-298 | C22H23F3N4O2

ML-298

  • Molecular FormulaC22H23F3N4O2
  • Average mass432.439 Da
  • Monoisotopic mass432.177307 Da
  • ChemSpider ID26647677

More details:

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

1426916-02-0 [RN]
3,4-Difluor-N-{2-[1-(3-fluorphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-8-yl]ethyl}benzamid [German] [ACD/IUPAC Name]
3,4-Difluoro-N-{2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-8-yl]ethyl}benzamide [ACD/IUPAC Name]
3,4-Difluoro-N-{2-[1-(3-fluorophényl)-4-oxo-1,3,8-triazaspiro[4.5]déc-8-yl]éthyl}benzamide [French] [ACD/IUPAC Name]
3,4-difluoro-N-{2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl}benzamide
Benzamide, 3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-8-yl]ethyl]- [ACD/Index Name]
ML-298
[1426916-02-0] [RN]
1426916-02-0 (free base)
3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-keto-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 650.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.2±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 109.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): -1.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.57
Polar Surface Area: 65 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 311.4±5.0 cm3

Click to predict properties on the Chemicalize site


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