Found 126 results

Search term: MF = 'C_{27}H_{36}N_{2}O_{7}S'
ChemSpider 2D Image | N-[(1S)-2-({[(4-Methylphenyl)sulfonyl]methyl}amino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-N-(2-methyl-2-propanyl)cyclohexanecarboxamide | C27H36N2O7S

N-[(1S)-2-({[(4-Methylphenyl)sulfonyl]methyl}amino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-N-(2-methyl-2-propanyl)cyclohexanecarboxamide

  • Molecular FormulaC27H36N2O7S
  • Average mass532.649 Da
  • Monoisotopic mass532.224304 Da
  • ChemSpider ID62323778

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzeneacetamide, α-[(cyclohexylcarbonyl)(1,1-dimethylethyl)amino]-2,4,6-trihydroxy-N-[[(4-methylphenyl)sulfonyl]methyl]-, (αS)- [ACD/Index Name]
N-[(1S)-2-({[(4-Methylphenyl)sulfonyl]methyl}amino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-N-(2-methyl-2-propanyl)cyclohexancarboxamid [German] [ACD/IUPAC Name]
N-[(1S)-2-({[(4-Methylphenyl)sulfonyl]methyl}amino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-N-(2-methyl-2-propanyl)cyclohexanecarboxamide [ACD/IUPAC Name]
N-[(1S)-2-({[(4-Méthylphényl)sulfonyl]méthyl}amino)-2-oxo-1-(2,4,6-trihydroxyphényl)éthyl]-N-(2-méthyl-2-propanyl)cyclohexanecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 824.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.0±3.0 kJ/mol
Flash Point: 452.5±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 140.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.66
ACD/KOC (pH 5.5): 364.76
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.21
ACD/KOC (pH 7.4): 317.56
Polar Surface Area: 153 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 409.2±3.0 cm3

Click to predict properties on the Chemicalize site


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