ChemSpider 2D Image | N,N-Diethyl-8-{3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl}-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboxamide | C30H39FN4O4

N,N-Diethyl-8-{3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl}-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboxamide

  • Molecular FormulaC30H39FN4O4
  • Average mass538.654 Da
  • Monoisotopic mass538.295532 Da
  • ChemSpider ID337078

More details:

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

1,3,8-Triazaspiro[4.5]decane-3-carboxamide, N,N-diethyl-8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-4-oxo-1-phenyl- [ACD/Index Name]
N,N-Diethyl-8-{3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl}-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboxamide [ACD/IUPAC Name]
N,N-Diéthyl-8-{3-[2-(4-fluorophényl)-1,3-dioxolan-2-yl]propyl}-4-oxo-1-phényl-1,3,8-triazaspiro[4.5]décane-3-carboxamide [French] [ACD/IUPAC Name]
N,N-Diethyl-8-{3-[2-(4-fluorphenyl)-1,3-dioxolan-2-yl]propyl}-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-carboxamid [German] [ACD/IUPAC Name]

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

AIDS158307 [DBID]
AIDS-158307 [DBID]
NCI60_022819 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 646.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.8±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 148.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.53
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 2.61
ACD/KOC (pH 7.4): 19.76
Polar Surface Area: 66 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 422.5±5.0 cm3

Click to predict properties on the Chemicalize site


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