ChemSpider 2D Image | 3-{[1-Cyclohexyl-4-oxo-8-(4-oxo-4-phenylbutyl)-1,3,8-triazaspiro[4.5]dec-3-yl]methyl}benzoic acid | C31H39N3O4

3-{[1-Cyclohexyl-4-oxo-8-(4-oxo-4-phenylbutyl)-1,3,8-triazaspiro[4.5]dec-3-yl]methyl}benzoic acid

  • Molecular FormulaC31H39N3O4
  • Average mass517.659 Da
  • Monoisotopic mass517.294067 Da
  • ChemSpider ID81367274

More details:

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

3-{[1-Cyclohexyl-4-oxo-8-(4-oxo-4-phenylbutyl)-1,3,8-triazaspiro[4.5]dec-3-yl]methyl}benzoesäure [German] [ACD/IUPAC Name]
3-{[1-Cyclohexyl-4-oxo-8-(4-oxo-4-phenylbutyl)-1,3,8-triazaspiro[4.5]dec-3-yl]methyl}benzoic acid [ACD/IUPAC Name]
Acide 3-{[1-cyclohexyl-4-oxo-8-(4-oxo-4-phénylbutyl)-1,3,8-triazaspiro[4.5]déc-3-yl]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[1-cyclohexyl-4-oxo-8-(4-oxo-4-phenylbutyl)-1,3,8-triazaspiro[4.5]dec-3-yl]methyl]- [ACD/Index Name]
1352993-39-5 [RN]
3-[[1-cyclohexyl-4-oxo-8-(4-oxo-4-phenylbutyl)-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzoic acid
Trazpiroben

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

Density: 1.3±0.1 g/cm3
Boiling Point: 733.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 397.1±32.9 °C
Index of Refraction: 1.636
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 7.34
ACD/KOC (pH 5.5): 28.01
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 7.48
ACD/KOC (pH 7.4): 28.53
Polar Surface Area: 81 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 409.8±5.0 cm3

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