ChemSpider 2D Image | 2-Oxo-2-{[3-(phenylsulfanyl)propanoyl]amino}ethyl 3-(3,4-dimethylphenyl)-1-adamantanecarboxylate | C30H35NO4S

2-Oxo-2-{[3-(phenylsulfanyl)propanoyl]amino}ethyl 3-(3,4-dimethylphenyl)-1-adamantanecarboxylate

  • Molecular FormulaC30H35NO4S
  • Average mass505.668 Da
  • Monoisotopic mass505.228668 Da
  • ChemSpider ID3203358

More details:






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

2-Oxo-2-{[3-(phenylsulfanyl)propanoyl]amino}ethyl 3-(3,4-dimethylphenyl)-1-adamantanecarboxylate [ACD/IUPAC Name]
2-Oxo-2-{[3-(phenylsulfanyl)propanoyl]amino}ethyl-3-(3,4-dimethylphenyl)-1-adamantancarboxylat [German] [ACD/IUPAC Name]
3-(3,4-Diméthylphényl)-1-adamantanecarboxylate de 2-oxo-2-{[3-(phénylsulfanyl)propanoyl]amino}éthyle [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-(3,4-dimethylphenyl)-, 2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 664.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 355.8±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 142.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 6.34
ACD/BCF (pH 5.5): 38636.56
ACD/KOC (pH 5.5): 66827.47
ACD/LogD (pH 7.4): 6.34
ACD/BCF (pH 7.4): 38587.98
ACD/KOC (pH 7.4): 66743.43
Polar Surface Area: 98 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 405.4±5.0 cm3

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