ChemSpider 2D Image | 2-Methyl-2-propanyl [(1S)-1-[5-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate | C26H28ClN5O4S

2-Methyl-2-propanyl [(1S)-1-[5-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate

  • Molecular FormulaC26H28ClN5O4S
  • Average mass542.050 Da
  • Monoisotopic mass541.155029 Da
  • ChemSpider ID22858603

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(1S)-1-[5-({2-[(3-Chloro-2-méthylphényl)amino]-2-oxoéthyl}sulfanyl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)éthyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(1S)-1-[5-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(1S)-1-[5-({2-[(3-chlor-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-[5-[[2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
(S)-tert-butyl (1-(5-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-1,3,4-oxadiazol-2-yl)-2-(1H-indol-3-yl)ethyl)carbamate
1173673-58-9 [RN]
tert-butyl N-[(1S)-1-[5-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]carbamate

    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: 1.655
    Molar Refractivity: 144.1±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.40
    ACD/LogD (pH 5.5): 5.11
    ACD/BCF (pH 5.5): 4521.83
    ACD/KOC (pH 5.5): 14390.13
    ACD/LogD (pH 7.4): 5.11
    ACD/BCF (pH 7.4): 4518.69
    ACD/KOC (pH 7.4): 14380.18
    Polar Surface Area: 147 Å2
    Polarizability: 57.1±0.5 10-24cm3
    Surface Tension: 69.0±5.0 dyne/cm
    Molar Volume: 392.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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