ChemSpider 2D Image | 2-{[(1-{N-[(4-Methylphenyl)sulfonyl]isoleucyl}-4-piperidinyl)carbonyl]amino}heptanoic acid | C26H41N3O6S

2-{[(1-{N-[(4-Methylphenyl)sulfonyl]isoleucyl}-4-piperidinyl)carbonyl]amino}heptanoic acid

  • Molecular FormulaC26H41N3O6S
  • Average mass523.685 Da
  • Monoisotopic mass523.271606 Da
  • ChemSpider ID2767133

More details:

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

2-{[(1-{N-[(4-Methylphenyl)sulfonyl]isoleucyl}-4-piperidinyl)carbonyl]amino}heptanoic acid [ACD/IUPAC Name]
2-{[(1-{N-[(4-Methylphenyl)sulfonyl]isoleucyl}-4-piperidinyl)carbonyl]amino}heptansäure [German] [ACD/IUPAC Name]
Acide 2-{[(1-{N-[(4-méthylphényl)sulfonyl]isoleucyl}-4-pipéridinyl)carbonyl]amino}heptanoïque [French] [ACD/IUPAC Name]
Heptanoic acid, 2-[[[1-[3-methyl-2-[[(4-methylphenyl)sulfonyl]amino]-1-oxopentyl]-4-piperidinyl]carbonyl]amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.544
Molar Refractivity: 139.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 4.03
ACD/KOC (pH 5.5): 24.41
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 440.9±3.0 cm3

Click to predict properties on the Chemicalize site


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