ChemSpider 2D Image | 4-Butoxy-N-[3-(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]benzamide | C30H31N5O3S

4-Butoxy-N-[3-(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]benzamide

  • Molecular FormulaC30H31N5O3S
  • Average mass541.664 Da
  • Monoisotopic mass541.214783 Da
  • ChemSpider ID1428177

More details:

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

4-Butoxy-N-[3-(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]benzamid [German] [ACD/IUPAC Name]
4-Butoxy-N-[3-(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]benzamide [ACD/IUPAC Name]
4-Butoxy-N-[3-(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoéthyl]sulfanyl}-4-méthyl-4H-1,2,4-triazol-3-yl)phényl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-butoxy-N-[3-[5-[[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]phenyl]- [ACD/Index Name]
4-butoxy-N-[3-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide
500264-87-9 [RN]

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

ZINC02201270 [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: 1.660
    Molar Refractivity: 155.7±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 7.01
    ACD/LogD (pH 5.5): 4.79
    ACD/BCF (pH 5.5): 2583.47
    ACD/KOC (pH 5.5): 9639.22
    ACD/LogD (pH 7.4): 4.79
    ACD/BCF (pH 7.4): 2583.66
    ACD/KOC (pH 7.4): 9639.92
    Polar Surface Area: 115 Å2
    Polarizability: 61.7±0.5 10-24cm3
    Surface Tension: 51.8±7.0 dyne/cm
    Molar Volume: 421.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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