ChemSpider 2D Image | 3-({[(4-Allyl-5-{1-[(2-fluorobenzoyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid | C23H22FN5O4S

3-({[(4-Allyl-5-{1-[(2-fluorobenzoyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid

  • Molecular FormulaC23H22FN5O4S
  • Average mass483.515 Da
  • Monoisotopic mass483.137665 Da
  • ChemSpider ID27468818

More details:

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

3-({[(4-Allyl-5-{1-[(2-fluorbenzoyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoesäure [German] [ACD/IUPAC Name]
3-({[(4-Allyl-5-{1-[(2-fluorobenzoyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid [ACD/IUPAC Name]
Acide 3-({2-[(4-allyl-5-{1-[(2-fluorobenzoyl)amino]éthyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acétyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[2-[[5-[1-[(2-fluorobenzoyl)amino]ethyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]- [ACD/Index Name]
1381851-81-5 [RN]
3-(2-((4-allyl-5-(1-(2-fluorobenzamido)ethyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid
3-[({[5-(1-{[(2-fluorophenyl)carbonyl]amino}ethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
3-[[2-[[5-[1-[(2-fluorobenzoyl)amino]ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
3-{2-[(5-{1-[(2-fluorophenyl)formamido]ethyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.648
    Molar Refractivity: 127.8±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 3.54
    ACD/LogD (pH 5.5): 1.58
    ACD/BCF (pH 5.5): 4.24
    ACD/KOC (pH 5.5): 38.21
    ACD/LogD (pH 7.4): 0.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.23
    Polar Surface Area: 152 Å2
    Polarizability: 50.7±0.5 10-24cm3
    Surface Tension: 53.1±7.0 dyne/cm
    Molar Volume: 351.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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