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Search term: NNWXGBOPCZTLTI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-[3-(2-{Methyl[(3-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]benzoic acid | C20H20N4O4

4-[3-(2-{Methyl[(3-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]benzoic acid

  • Molecular FormulaC20H20N4O4
  • Average mass380.397 Da
  • Monoisotopic mass380.148468 Da
  • ChemSpider ID21801603

More details:

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1142209-91-3 [RN]
4-[3-(2-{Methyl[(3-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]benzoesäure [German] [ACD/IUPAC Name]
4-[3-(2-{Methyl[(3-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]benzoic acid [ACD/IUPAC Name]
Acide 4-[3-(2-{méthyl[(3-méthylphényl)carbamoyl]amino}éthyl)-1,2,4-oxadiazol-5-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[3-[2-[methyl[[(3-methylphenyl)amino]carbonyl]amino]ethyl]-1,2,4-oxadiazol-5-yl]- [ACD/Index Name]
4-(3-(2-(1-methyl-3-(m-tolyl)ureido)ethyl)-1,2,4-oxadiazol-5-yl)benzoic acid
4-(3-[2-(Methyl([(3-methylphenyl)amino]carbonyl)amino)ethyl]-1,2,4-oxadiazol-5-yl)benzoic acid
4-[3-[2-[methyl-[(3-methylphenyl)carbamoyl]amino]ethyl]-1,2,4-oxadiazol-5-yl]benzoic acid
4-{3-[2-(methyl{[(3-methylphenyl)amino]carbonyl}amino)ethyl]-1,2,4-oxadiazol-5-yl}benzoic acid
4-{3-[2-(Methyl{[(3-methylphenyl)amino]carbonyl}-amino)ethyl]-1,2,4-oxadiazol-5-yl}benzoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD12028282 [DBID]

    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: 1.636
    Molar Refractivity: 102.8±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.60
    ACD/LogD (pH 5.5): 1.47
    ACD/BCF (pH 5.5): 2.55
    ACD/KOC (pH 5.5): 18.21
    ACD/LogD (pH 7.4): 0.40
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.55
    Polar Surface Area: 109 Å2
    Polarizability: 40.8±0.5 10-24cm3
    Surface Tension: 61.7±3.0 dyne/cm
    Molar Volume: 286.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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