ChemSpider 2D Image | N-[(2R)-3-(Benzylsulfonyl)-1-oxo-1-{[(2S)-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-hexanyl]amino}-2-propanyl]-4-morpholinecarboxamide | C29H35N5O7S

N-[(2R)-3-(Benzylsulfonyl)-1-oxo-1-{[(2S)-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-hexanyl]amino}-2-propanyl]-4-morpholinecarboxamide

  • Molecular FormulaC29H35N5O7S
  • Average mass597.682 Da
  • Monoisotopic mass597.225708 Da
  • ChemSpider ID7984509

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Morpholinecarboxamide, N-[(1R)-2-oxo-1-[[(phenylmethyl)sulfonyl]methyl]-2-[[(1S)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbonyl]pentyl]amino]ethyl]- [ACD/Index Name]
N-[(2R)-3-(Benzylsulfonyl)-1-oxo-1-{[(2S)-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-hexanyl]amino}-2-propanyl]-4-morpholincarboxamid [German] [ACD/IUPAC Name]
N-[(2R)-3-(Benzylsulfonyl)-1-oxo-1-{[(2S)-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-hexanyl]amino}-2-propanyl]-4-morpholinecarboxamide [ACD/IUPAC Name]
N-[(2R)-3-(Benzylsulfonyl)-1-oxo-1-{[(2S)-1-oxo-1-(5-phényl-1,3,4-oxadiazol-2-yl)-2-hexanyl]amino}-2-propanyl]-4-morpholinecarboxamide [French] [ACD/IUPAC Name]
N-[(2R)-3-(benzylsulfonyl)-1-oxo-1-{[(2S)-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)hexan-2-yl]amino}propan-2-yl]morpholine-4-carboxamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL401781/
N-((R)-3-(benzylsulfonyl)-1-oxo-1-((S)-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)hexan-2-ylamino)propan-2-yl)morpholine-4-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.584
Molar Refractivity: 153.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.06
ACD/KOC (pH 5.5): 434.92
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.01
ACD/KOC (pH 7.4): 434.19
Polar Surface Area: 169 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 459.6±3.0 cm3

Click to predict properties on the Chemicalize site


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