ChemSpider 2D Image | Ethyl (3S)-1-(2-{[4-chloro-3-(dimethylsulfamoyl)phenyl]amino}-2-oxoethyl)-3-piperidinecarboxylate | C18H26ClN3O5S

Ethyl (3S)-1-(2-{[4-chloro-3-(dimethylsulfamoyl)phenyl]amino}-2-oxoethyl)-3-piperidinecarboxylate

  • Molecular FormulaC18H26ClN3O5S
  • Average mass431.934 Da
  • Monoisotopic mass431.128174 Da
  • ChemSpider ID70012717

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-(2-{[4-Chloro-3-(diméthylsulfamoyl)phényl]amino}-2-oxoéthyl)-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[2-[[4-chloro-3-[(dimethylamino)sulfonyl]phenyl]amino]-2-oxoethyl]-, ethyl ester, (3S)- [ACD/Index Name]
Ethyl (3S)-1-(2-{[4-chloro-3-(dimethylsulfamoyl)phenyl]amino}-2-oxoethyl)-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-(3S)-1-(2-{[4-chlor-3-(dimethylsulfamoyl)phenyl]amino}-2-oxoethyl)-3-piperidincarboxylat [German] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.569
Molar Refractivity: 107.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 8.14
ACD/KOC (pH 5.5): 103.44
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.31
ACD/KOC (pH 7.4): 423.14
Polar Surface Area: 104 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 327.7±3.0 cm3

Click to predict properties on the Chemicalize site


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