ChemSpider 2D Image | 2-[8-(4-Chloro-3-nitrobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-N-(2-methylbutyl)acetamide | C27H32ClN5O5

2-[8-(4-Chloro-3-nitrobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-N-(2-methylbutyl)acetamide

  • Molecular FormulaC27H32ClN5O5
  • Average mass542.026 Da
  • Monoisotopic mass541.209167 Da
  • ChemSpider ID3330025

More details:

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

1,3,8-Triazaspiro[4.5]decane-3-acetamide, 8-(4-chloro-3-nitrobenzoyl)-N-(2-methylbutyl)-4-oxo-1-phenyl- [ACD/Index Name]
2-[8-(4-Chlor-3-nitrobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-N-(2-methylbutyl)acetamid [German] [ACD/IUPAC Name]
2-[8-(4-Chloro-3-nitrobenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-N-(2-methylbutyl)acetamide [ACD/IUPAC Name]
2-[8-(4-Chloro-3-nitrobenzoyl)-4-oxo-1-phényl-1,3,8-triazaspiro[4.5]déc-3-yl]-N-(2-méthylbutyl)acétamide [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: 802.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 439.1±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 143.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 222.73
ACD/KOC (pH 5.5): 1667.80
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 222.73
ACD/KOC (pH 7.4): 1667.81
Polar Surface Area: 119 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 66.1±5.0 dyne/cm
Molar Volume: 396.5±5.0 cm3

Click to predict properties on the Chemicalize site


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