ChemSpider 2D Image | 2-[4-Cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-8-(propylsulfonyl)-2,8-diazaspiro[4.5]decane-4-carboxamide | C22H29F3N4O3S

2-[4-Cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-8-(propylsulfonyl)-2,8-diazaspiro[4.5]decane-4-carboxamide

  • Molecular FormulaC22H29F3N4O3S
  • Average mass486.551 Da
  • Monoisotopic mass486.191254 Da
  • ChemSpider ID71066336

More details:

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

2,8-Diazaspiro[4.5]decane-4-carboxamide, 2-[4-cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-8-(propylsulfonyl)- [ACD/Index Name]
2-[4-Cyan-3-(trifluormethyl)phenyl]-N,N-dimethyl-8-(propylsulfonyl)-2,8-diazaspiro[4.5]decan-4-carboxamid [German] [ACD/IUPAC Name]
2-[4-Cyano-3-(trifluoromethyl)phenyl]-N,N-dimethyl-8-(propylsulfonyl)-2,8-diazaspiro[4.5]decane-4-carboxamide [ACD/IUPAC Name]
2-[4-Cyano-3-(trifluorométhyl)phényl]-N,N-diméthyl-8-(propylsulfonyl)-2,8-diazaspiro[4.5]décane-4-carboxamide [French] [ACD/IUPAC 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: 650.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 347.0±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 117.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 151.79
ACD/KOC (pH 5.5): 1267.50
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 151.79
ACD/KOC (pH 7.4): 1267.51
Polar Surface Area: 93 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 358.1±5.0 cm3

Click to predict properties on the Chemicalize site


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