ChemSpider 2D Image | 4-{5-[(3-Fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}butanoic acid | C13H12FN3O3S

4-{5-[(3-Fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}butanoic acid

  • Molecular FormulaC13H12FN3O3S
  • Average mass309.316 Da
  • Monoisotopic mass309.058350 Da
  • ChemSpider ID21801572

More details:

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

1,3,4-Thiadiazole-2-butanoic acid, 5-[[(3-fluorophenyl)amino]carbonyl]- [ACD/Index Name]
1142202-89-8 [RN]
4-{5-[(3-Fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}butanoic acid [ACD/IUPAC Name]
4-{5-[(3-Fluorphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}butansäure [German] [ACD/IUPAC Name]
Acide 4-{5-[(3-fluorophényl)carbamoyl]-1,3,4-thiadiazol-2-yl}butanoïque [French] [ACD/IUPAC Name]
[1142202-89-8] [RN]
1,3,4-thiadiazole-2-butanoic acid, 5-[[(3-fluorophenyl)amino]carbonyl]
4-(5-((3-Fluorophenyl)carbamoyl)-1,3,4-thiadiazol-2-yl)butanoic acid
4-(5-([(3-FLUOROPHENYL)AMINO]CARBONYL)-1,3,4-THIADIAZOL-2-YL)BUTANOIC ACID
4-(5-{[(3-Fluorophenyl)amino]carbonyl}-1,3,4-thiadiazol-2-yl)butanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD12028251 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.645
    Molar Refractivity: 75.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.05
    ACD/LogD (pH 5.5): 0.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 15.51
    ACD/LogD (pH 7.4): -1.34
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 120 Å2
    Polarizability: 30.0±0.5 10-24cm3
    Surface Tension: 69.6±3.0 dyne/cm
    Molar Volume: 208.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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