ChemSpider 2D Image | 2-[(Adamantan-1-ylmethyl)amino]-2-oxoethyl 1-{[4-(ethoxycarbonyl)phenyl]sulfonyl}-4-piperidinecarboxylate | C28H38N2O7S

2-[(Adamantan-1-ylmethyl)amino]-2-oxoethyl 1-{[4-(ethoxycarbonyl)phenyl]sulfonyl}-4-piperidinecarboxylate

  • Molecular FormulaC28H38N2O7S
  • Average mass546.675 Da
  • Monoisotopic mass546.239990 Da
  • ChemSpider ID4018984

More details:

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

1-{[4-(Éthoxycarbonyl)phényl]sulfonyl}-4-pipéridinecarboxylate de 2-[(adamantan-1-ylméthyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
2-[(Adamantan-1-ylmethyl)amino]-2-oxoethyl 1-{[4-(ethoxycarbonyl)phenyl]sulfonyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
2-[(Adamantan-1-ylmethyl)amino]-2-oxoethyl-1-{[4-(ethoxycarbonyl)phenyl]sulfonyl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[[4-(ethoxycarbonyl)phenyl]sulfonyl]-, 2-oxo-2-[(tricyclo[3.3.1.13,7]dec-1-ylmethyl)amino]ethyl ester [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.574
Molar Refractivity: 140.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1969.24
ACD/KOC (pH 5.5): 7936.98
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1969.23
ACD/KOC (pH 7.4): 7936.97
Polar Surface Area: 127 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 426.0±3.0 cm3

Click to predict properties on the Chemicalize site


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