ChemSpider 2D Image | (3S,4S)-N-(2-Iminoethyl)-4-(4-morpholinylcarbonyl)-1-(phenylsulfonyl)-3-pyrrolidinecarboxamide | C18H24N4O5S

(3S,4S)-N-(2-Iminoethyl)-4-(4-morpholinylcarbonyl)-1-(phenylsulfonyl)-3-pyrrolidinecarboxamide

  • Molecular FormulaC18H24N4O5S
  • Average mass408.472 Da
  • Monoisotopic mass408.146729 Da
  • ChemSpider ID35034814
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3S,4S)-N-(2-Iminoethyl)-4-(4-morpholinylcarbonyl)-1-(phenylsulfonyl)-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(3S,4S)-N-(2-Iminoethyl)-4-(4-morpholinylcarbonyl)-1-(phenylsulfonyl)-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
(3S,4S)-N-(2-Iminoéthyl)-4-(4-morpholinylcarbonyl)-1-(phénylsulfonyl)-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxamide, N-(2-iminoethyl)-4-(4-morpholinylcarbonyl)-1-(phenylsulfonyl)-, (3S,4S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 103.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -2.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.60
Polar Surface Area: 128 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 62.9±7.0 dyne/cm
Molar Volume: 281.1±7.0 cm3

Click to predict properties on the Chemicalize site






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