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Search term: IDPRRKIFQPJKDZ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Ethyl 4-[(4-methoxyphenyl)sulfonyl]-4-(2-methylphenyl)-1-piperidinecarboxylate | C22H27NO5S

Ethyl 4-[(4-methoxyphenyl)sulfonyl]-4-(2-methylphenyl)-1-piperidinecarboxylate

  • Molecular FormulaC22H27NO5S
  • Average mass417.518 Da
  • Monoisotopic mass417.160980 Da
  • ChemSpider ID23247594

More details:

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

1-Piperidinecarboxylic acid, 4-[(4-methoxyphenyl)sulfonyl]-4-(2-methylphenyl)-, ethyl ester [ACD/Index Name]
4-[(4-Méthoxyphényl)sulfonyl]-4-(2-méthylphényl)-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[(4-methoxyphenyl)sulfonyl]-4-(2-methylphenyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
ethyl 4-[(4-methoxyphenyl)sulfonyl]-4-(2-methylphenyl)piperidine-1-carboxylate
Ethyl-4-[(4-methoxyphenyl)sulfonyl]-4-(2-methylphenyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-(4-Methoxy-benzenesulfonyl)-4-o-tolyl-piperidine-1-carboxylic acid ethyl ester
CHEMBL360341
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL360341/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 587.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 309.0±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 112.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 438.43
ACD/KOC (pH 5.5): 2708.19
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 438.43
ACD/KOC (pH 7.4): 2708.19
Polar Surface Area: 81 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 341.8±3.0 cm3

Click to predict properties on the Chemicalize site


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