ChemSpider 2D Image | 3-{[(2S)-3-(4-Methoxyphenyl)-1-(methylamino)-1-oxo-2-propanyl]sulfamoyl}nonanoic acid | C20H32N2O6S

3-{[(2S)-3-(4-Methoxyphenyl)-1-(methylamino)-1-oxo-2-propanyl]sulfamoyl}nonanoic acid

  • Molecular FormulaC20H32N2O6S
  • Average mass428.543 Da
  • Monoisotopic mass428.198120 Da
  • ChemSpider ID23166984

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

3-{[(2S)-3-(4-Methoxyphenyl)-1-(methylamino)-1-oxo-2-propanyl]sulfamoyl}nonanoic acid [ACD/IUPAC Name]
3-{[(2S)-3-(4-Methoxyphenyl)-1-(methylamino)-1-oxo-2-propanyl]sulfamoyl}nonansäure [German] [ACD/IUPAC Name]
3-{[(2S)-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]sulfamoyl}nonanoic acid
Acide 3-{[(2S)-3-(4-méthoxyphényl)-1-(méthylamino)-1-oxo-2-propanyl]sulfamoyl}nonanoïque [French] [ACD/IUPAC Name]
Nonanoic acid, 3-[[[(1S)-1-[(4-methoxyphenyl)methyl]-2-(methylamino)-2-oxoethyl]amino]sulfonyl]- [ACD/Index Name]
3-[(S)-2-(4-Methoxy-phenyl)-1-methylcarbamoyl-ethylsulfamoyl]-nonanoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL311393/

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.532
Molar Refractivity: 111.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 3.10
ACD/KOC (pH 5.5): 26.75
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 359.0±3.0 cm3

Click to predict properties on the Chemicalize site


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