ChemSpider 2D Image | (3S)-1-(2-Methoxyphenyl)-5-oxo-N-(5-{[2-oxo-2-(propylamino)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-pyrrolidinecarboxamide | C19H23N5O4S2

(3S)-1-(2-Methoxyphenyl)-5-oxo-N-(5-{[2-oxo-2-(propylamino)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-pyrrolidinecarboxamide

  • Molecular FormulaC19H23N5O4S2
  • Average mass449.547 Da
  • Monoisotopic mass449.119141 Da
  • ChemSpider ID62689888

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-(2-Methoxyphenyl)-5-oxo-N-(5-{[2-oxo-2-(propylamino)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(3S)-1-(2-Methoxyphenyl)-5-oxo-N-(5-{[2-oxo-2-(propylamino)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
(3S)-1-(2-Méthoxyphényl)-5-oxo-N-(5-{[2-oxo-2-(propylamino)éthyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxamide, 1-(2-methoxyphenyl)-5-oxo-N-[5-[[2-oxo-2-(propylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]-, (3S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.644
Molar Refractivity: 115.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.48
ACD/KOC (pH 5.5): 160.71
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.26
ACD/KOC (pH 7.4): 156.66
Polar Surface Area: 167 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 72.6±5.0 dyne/cm
Molar Volume: 318.7±5.0 cm3

Click to predict properties on the Chemicalize site


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