ChemSpider 2D Image | Ethyl 1-[({5-[3-(4-morpholinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]-4-piperidinecarboxylate | C22H28N4O7S2

Ethyl 1-[({5-[3-(4-morpholinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]-4-piperidinecarboxylate

  • Molecular FormulaC22H28N4O7S2
  • Average mass524.610 Da
  • Monoisotopic mass524.139954 Da
  • ChemSpider ID3841856

More details:

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

1-[2-({5-[3-(4-Morpholinylsulfonyl)phényl]-1,3,4-oxadiazol-2-yl}sulfanyl)acétyl]-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[2-[[5-[3-(4-morpholinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]acetyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-[({5-[3-(4-morpholinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-[({5-[3-(4-morpholinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]-4-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 727.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.9±35.7 °C
Index of Refraction: 1.633
Molar Refractivity: 128.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.65
ACD/KOC (pH 5.5): 271.71
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.65
ACD/KOC (pH 7.4): 271.71
Polar Surface Area: 166 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 74.2±5.0 dyne/cm
Molar Volume: 359.8±5.0 cm3

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