ChemSpider 2D Image | N~2~-[(2S,6'R)-7-Chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl]-N-(2-methoxyethyl)glycinamide | C21H25ClN2O7

N2-[(2S,6'R)-7-Chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl]-N-(2-methoxyethyl)glycinamide

  • Molecular FormulaC21H25ClN2O7
  • Average mass452.885 Da
  • Monoisotopic mass452.135040 Da
  • ChemSpider ID60552323

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acetamide, 2-[[(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxospiro[benzofuran-2(3H),1'-cyclohex[3]en]-4'-yl]amino]-N-(2-methoxyethyl)- [ACD/Index Name]
N2-[(2S,6'R)-7-Chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl]-N-(2-methoxyethyl)glycinamide [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: 730.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.5±32.9 °C
Index of Refraction: 1.586
Molar Refractivity: 111.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.25
ACD/KOC (pH 5.5): 310.24
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.25
ACD/KOC (pH 7.4): 310.26
Polar Surface Area: 112 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 331.6±5.0 cm3

Click to predict properties on the Chemicalize site


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