ChemSpider 2D Image | 2-{1-[(2-Acetamido-2-carboxylatoethyl)sulfanyl]-2H-isoindol-2-yl}-3-methylbutanoate | C18H20N2O5S

2-{1-[(2-Acetamido-2-carboxylatoethyl)sulfanyl]-2H-isoindol-2-yl}-3-methylbutanoate

  • Molecular FormulaC18H20N2O5S
  • Average mass376.428 Da
  • Monoisotopic mass376.110382 Da
  • ChemSpider ID21202559
  • Charge - Charge


More details:






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

2-{1-[(2-Acetamido-2-carboxylatoethyl)sulfanyl]-2H-isoindol-2-yl}-3-methylbutanoat [German] [ACD/IUPAC Name]
2-{1-[(2-Acetamido-2-carboxylatoethyl)sulfanyl]-2H-isoindol-2-yl}-3-methylbutanoate [ACD/IUPAC Name]
2-{1-[(2-Acétamido-2-carboxylatoéthyl)sulfanyl]-2H-isoindol-2-yl}-3-méthylbutanoate [French] [ACD/IUPAC Name]
2H-Isoindole-2-acetic acid, 1-[[2-(acetylamino)-2-carboxyethyl]thio]-α-(1-methylethyl)-, ion(2-) [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 686.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 368.7±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): -1.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability:
Surface Tension:
Molar Volume:

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