ChemSpider 2D Image | 3-({4-[2-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)ethoxy]benzoyl}amino)-N-(phenylsulfonyl)-L-alanine | C28H37N3O8S

3-({4-[2-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)ethoxy]benzoyl}amino)-N-(phenylsulfonyl)-L-alanine

  • Molecular FormulaC28H37N3O8S
  • Average mass575.674 Da
  • Monoisotopic mass575.230164 Da
  • ChemSpider ID8897218

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperidinecarboxylic acid, 4-[2-[4-[[[(2S)-2-carboxy-2-[(phenylsulfonyl)amino]ethyl]amino]carbonyl]phenoxy]ethyl]-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
3-({4-[2-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)ethoxy]benzoyl}amino)-N-(phenylsulfonyl)-L-alanin [German] [ACD/IUPAC Name]
3-({4-[2-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)ethoxy]benzoyl}amino)-N-(phenylsulfonyl)-L-alanine [ACD/IUPAC Name]
3-({4-[2-(1-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-4-pipéridinyl)éthoxy]benzoyl}amino)-N-(phénylsulfonyl)-L-alanine [French] [ACD/IUPAC Name]

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: 1.569
Molar Refractivity: 148.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.63
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 454.0±3.0 cm3

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