ChemSpider 2D Image | (2S,4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-2-pyrrolidinecarboxylate | C22H22NO4S2

(2S,4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-2-pyrrolidinecarboxylate

  • Molecular FormulaC22H22NO4S2
  • Average mass428.545 Da
  • Monoisotopic mass428.099579 Da
  • ChemSpider ID31150853

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-2-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(2S,4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-2-pyrrolidinecarboxylate [ACD/IUPAC Name]
(2S,4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-méthylpropanoyl]-4-(phénylsulfanyl)-2-pyrrolidinecarboxylate [French] [ACD/IUPAC Name]
L-Proline, 1-[(2S)-3-(benzoylthio)-2-methyl-1-oxopropyl]-4-(phenylthio)-, ion(1-), (4S)- [ACD/Index Name]
(2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)pyrrolidine-2-carboxylate
zofenopril anion
zofenopril(1-)
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion that is the conjugate base of zofenopril, obtained by deprotonation of the carboxy group. ChEBI CHEBI:82601

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

Density:
Boiling Point: 646.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 344.7±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 4.45
ACD/KOC (pH 5.5): 24.00
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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