ChemSpider 2D Image | 4-(5-Amino-1,3,4-thiadiazol-2-yl)-1-(2-ethylphenyl)-2-pyrrolidinone | C14H16N4OS

4-(5-Amino-1,3,4-thiadiazol-2-yl)-1-(2-ethylphenyl)-2-pyrrolidinone

  • Molecular FormulaC14H16N4OS
  • Average mass288.368 Da
  • Monoisotopic mass288.104492 Da
  • ChemSpider ID25084354

More details:

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

1217862-63-9 [RN]
2-Pyrrolidinone, 4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(2-ethylphenyl)- [ACD/Index Name]
4-(5-Amino-1,3,4-thiadiazol-2-yl)-1-(2-ethylphenyl)-2-pyrrolidinon [German] [ACD/IUPAC Name]
4-(5-Amino-1,3,4-thiadiazol-2-yl)-1-(2-ethylphenyl)-2-pyrrolidinone [ACD/IUPAC Name]
4-(5-Amino-1,3,4-thiadiazol-2-yl)-1-(2-éthylphényl)-2-pyrrolidinone [French] [ACD/IUPAC Name]
4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
2-pyrrolidinone, 4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(2-ethylphenyl)
4-(5-Amino-[1,3,4]thiadiazol-2-yl)-1-(2-ethyl-phenyl)-pyrrolidin-2-one
MFCD15146454 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 576.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 86.3±3.0 kJ/mol
    Flash Point: 302.2±32.9 °C
    Index of Refraction: 1.658
    Molar Refractivity: 79.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.85
    ACD/LogD (pH 5.5): 1.67
    ACD/BCF (pH 5.5): 10.95
    ACD/KOC (pH 5.5): 192.64
    ACD/LogD (pH 7.4): 1.67
    ACD/BCF (pH 7.4): 11.03
    ACD/KOC (pH 7.4): 194.10
    Polar Surface Area: 100 Å2
    Polarizability: 31.5±0.5 10-24cm3
    Surface Tension: 68.3±3.0 dyne/cm
    Molar Volume: 215.7±3.0 cm3

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