ChemSpider 2D Image | N-(Adamantan-1-yl)-4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide | C26H32F3N3O2S

N-(Adamantan-1-yl)-4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

  • Molecular FormulaC26H32F3N3O2S
  • Average mass507.611 Da
  • Monoisotopic mass507.216736 Da
  • ChemSpider ID3126319

More details:

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

1-Thia-4,8-diazaspiro[4.5]decane-8-carboxamide, N-tricyclo[3.3.1.13,7]dec-1-yl-4-[4-(trifluoromethyl)benzoyl]- [ACD/Index Name]
N-(Adamantan-1-yl)-4-[4-(trifluormethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decan-8-carboxamid [German] [ACD/IUPAC Name]
N-(Adamantan-1-yl)-4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide [ACD/IUPAC Name]
N-(Adamantan-1-yl)-4-[4-(trifluorométhyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]décane-8-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: 688.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.5±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 129.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2567.08
ACD/KOC (pH 5.5): 9595.60
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2567.07
ACD/KOC (pH 7.4): 9595.56
Polar Surface Area: 78 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 367.5±5.0 cm3

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