ChemSpider 2D Image | ML-299 | C23H26BrFN4O2

ML-299

  • Molecular FormulaC23H26BrFN4O2
  • Average mass489.380 Da
  • Monoisotopic mass488.122314 Da
  • ChemSpider ID34505808

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1426916-00-8 [RN]
4-Brom-N-{(2S)-1-[1-(3-fluorphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-8-yl]-2-propanyl}benzamid [German] [ACD/IUPAC Name]
4-bromo-N-[(2S)-1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]benzamide
4-Bromo-N-{(2S)-1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-8-yl]-2-propanyl}benzamide [ACD/IUPAC Name]
4-Bromo-N-{(2S)-1-[1-(3-fluorophényl)-4-oxo-1,3,8-triazaspiro[4.5]déc-8-yl]-2-propanyl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-bromo-N-[(1S)-2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-8-yl]-1-methylethyl]- [ACD/Index Name]
ML-299
(S)-4-Bromo-N-(1-(1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl)benzamide
[1426916-00-8] [RN]
4-bromo-N-[(1S)-2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-8-yl]-1-methylethyl]-benzamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 708.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 382.5±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 121.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.77
ACD/KOC (pH 7.4): 17.49
Polar Surface Area: 65 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 332.0±5.0 cm3

Click to predict properties on the Chemicalize site


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