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

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

  • Molecular FormulaC25H39N3O6S
  • Average mass509.659 Da
  • Monoisotopic mass509.255951 Da
  • ChemSpider ID17466215

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-{[(1-{N-[(4-Methylphenyl)sulfonyl]-L-valyl}-4-piperidinyl)carbonyl]amino}heptanoic acid [ACD/IUPAC Name]
2-{[(1-{N-[(4-Methylphenyl)sulfonyl]-L-valyl}-4-piperidinyl)carbonyl]amino}heptansäure [German] [ACD/IUPAC Name]
Acide 2-{[(1-{N-[(4-méthylphényl)sulfonyl]-L-valyl}-4-pipéridinyl)carbonyl]amino}heptanoïque [French] [ACD/IUPAC Name]
Heptanoic acid, 2-[[[1-[(2S)-3-methyl-2-[[(4-methylphenyl)sulfonyl]amino]-1-oxobutyl]-4-piperidinyl]carbonyl]amino]- [ACD/Index Name]
2-({1-[(2S)-3-METHYL-2-(4-METHYLBENZENESULFONAMIDO)BUTANOYL]PIPERIDIN-4-YL}FORMAMIDO)HEPTANOIC ACID
2-(1-((S)-3-methyl-2-(4-methylphenylsulfonamido)butanoyl)piperidine-4-carboxamido)heptanoic acid

    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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