ChemSpider 2D Image | (4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-D-proline | C22H23NO4S2

(4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-D-proline

  • Molecular FormulaC22H23NO4S2
  • Average mass429.552 Da
  • Monoisotopic mass429.106842 Da
  • ChemSpider ID57267567

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-D-prolin [German] [ACD/IUPAC Name]
(4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)-D-proline [ACD/IUPAC Name]
(4S)-1-[(2S)-3-(Benzoylsulfanyl)-2-méthylpropanoyl]-4-(phénylsulfanyl)-D-proline [French] [ACD/IUPAC Name]
D-Proline, 1-[(2S)-3-(benzoylthio)-2-methyl-1-oxopropyl]-4-(phenylthio)-, (4S)- [ACD/Index Name]
81872-10-8 [RN]
Zofenopril [INN] [Wiki]
ZOFENOPRIL-D5

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

Density: 1.3±0.1 g/cm3
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: 1.659
Molar Refractivity: 117.5±0.4 cm3
#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: 125 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 65.4±5.0 dyne/cm
Molar Volume: 318.7±5.0 cm3

Click to predict properties on the Chemicalize site


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