ChemSpider 2D Image | compound 29e [PMID: 23631440] | C24H31N3O5S2

compound 29e [PMID: 23631440]

  • Molecular FormulaC24H31N3O5S2
  • Average mass505.650 Da
  • Monoisotopic mass505.170502 Da
  • ChemSpider ID30811743

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acetamide, N-[6-[(3S,4S)-3-mercapto-4-[[(4-phenoxyphenyl)sulfonyl]amino]-1-pyrrolidinyl]-6-oxohexyl]- [ACD/Index Name]
compound 29e [PMID: 23631440]
N-{6-Oxo-6-[(3S,4S)-3-{[(4-phenoxyphenyl)sulfonyl]amino}-4-sulfanyl-1-pyrrolidinyl]hexyl}acetamid [German] [ACD/IUPAC Name]
N-{6-Oxo-6-[(3S,4S)-3-{[(4-phenoxyphenyl)sulfonyl]amino}-4-sulfanyl-1-pyrrolidinyl]hexyl}acetamide [ACD/IUPAC Name]
N-{6-Oxo-6-[(3S,4S)-3-{[(4-phénoxyphényl)sulfonyl]amino}-4-sulfanyl-1-pyrrolidinyl]hexyl}acétamide [French] [ACD/IUPAC Name]
N-[6-oxo-6-[(3S,4S)-3-[(4-phenoxyphenyl)sulfonylamino]-4-sulfanylpyrrolidin-1-yl]hexyl]acetamide

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: 1.623
Molar Refractivity: 134.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.02
ACD/KOC (pH 5.5): 690.82
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 64.50
ACD/KOC (pH 7.4): 685.35
Polar Surface Area: 152 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 382.2±5.0 cm3

Click to predict properties on the Chemicalize site


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