ChemSpider 2D Image | 2-{[(1-{N-[(4-Methylphenyl)sulfonyl]valyl}-4-piperidinyl)carbonyl]amino}heptanoic acid | C25H39N3O6S

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

  • Molecular FormulaC25H39N3O6S
  • Average mass509.659 Da
  • Monoisotopic mass509.255951 Da
  • ChemSpider ID3499107

More details:

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

2-{[(1-{N-[(4-Methylphenyl)sulfonyl]valyl}-4-piperidinyl)carbonyl]amino}heptanoic acid [ACD/IUPAC Name]
2-{[(1-{N-[(4-Methylphenyl)sulfonyl]valyl}-4-piperidinyl)carbonyl]amino}heptansäure [German] [ACD/IUPAC Name]
Acide 2-{[(1-{N-[(4-méthylphényl)sulfonyl]valyl}-4-pipéridinyl)carbonyl]amino}heptanoïque [French] [ACD/IUPAC Name]
Heptanoic acid, 2-[[[1-[3-methyl-2-[[(4-methylphenyl)sulfonyl]amino]-1-oxobutyl]-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: 1.546
Molar Refractivity: 134.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 13.47
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 424.4±3.0 cm3

Click to predict properties on the Chemicalize site


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