ChemSpider 2D Image | (5S)-5-{3-Oxo-3-[4-(trifluoroacetyl)-1,4-diazepan-1-yl]propyl}-2,4-imidazolidinedione | C13H17F3N4O4

(5S)-5-{3-Oxo-3-[4-(trifluoroacetyl)-1,4-diazepan-1-yl]propyl}-2,4-imidazolidinedione

  • Molecular FormulaC13H17F3N4O4
  • Average mass350.294 Da
  • Monoisotopic mass350.120178 Da
  • ChemSpider ID67898003

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-5-{3-Oxo-3-[4-(2,2,2-trifluoroacétyl)-1,4-diazépan-1-yl]propyl}-2,4-imidazolidinedione [French] [ACD/IUPAC Name]
(5S)-5-{3-Oxo-3-[4-(trifluoracetyl)-1,4-diazepan-1-yl]propyl}-2,4-imidazolidindion [German] [ACD/IUPAC Name]
(5S)-5-{3-Oxo-3-[4-(trifluoroacetyl)-1,4-diazepan-1-yl]propyl}-2,4-imidazolidinedione [ACD/IUPAC Name]
2,4-Imidazolidinedione, 5-[3-[hexahydro-4-(2,2,2-trifluoroacetyl)-1H-1,4-diazepin-1-yl]-3-oxopropyl]-, (5S)- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.488
Molar Refractivity: 72.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.42
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.13
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.82
Polar Surface Area: 99 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 251.5±3.0 cm3

Click to predict properties on the Chemicalize site


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