ChemSpider 2D Image | N-{2-[(3-Acetyl-2,4,6-trimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-(2-methyl-2-propanyl)benzamide | C30H32N2O2S2

N-{2-[(3-Acetyl-2,4,6-trimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-(2-methyl-2-propanyl)benzamide

  • Molecular FormulaC30H32N2O2S2
  • Average mass516.717 Da
  • Monoisotopic mass516.190491 Da
  • ChemSpider ID3396595

More details:

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

Benzamide, N-[2-[[(3-acetyl-2,4,6-trimethylphenyl)methyl]thio]-6-benzothiazolyl]-4-(1,1-dimethylethyl)- [ACD/Index Name]
N-{2-[(3-Acetyl-2,4,6-trimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-(2-methyl-2-propanyl)benzamid [German] [ACD/IUPAC Name]
N-{2-[(3-Acetyl-2,4,6-trimethylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-(2-methyl-2-propanyl)benzamide [ACD/IUPAC Name]
N-{2-[(3-Acétyl-2,4,6-triméthylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-(2-méthyl-2-propanyl)benzamide [French] [ACD/IUPAC Name]
354127-59-6 [RN]
AC1N4WLN
AGN-PC-0L6U7W
CHEMBL221611
KQZXMMKTMYHYCC-UHFFFAOYSA-N
MCULE-8320522385
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AN-989/14669159 [DBID]
ZINC08438483 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.652
    Molar Refractivity: 152.5±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 7.79
    ACD/LogD (pH 5.5): 7.11
    ACD/BCF (pH 5.5): 148695.38
    ACD/KOC (pH 5.5): 175350.09
    ACD/LogD (pH 7.4): 7.11
    ACD/BCF (pH 7.4): 148696.03
    ACD/KOC (pH 7.4): 175350.88
    Polar Surface Area: 113 Å2
    Polarizability: 60.4±0.5 10-24cm3
    Surface Tension: 58.5±5.0 dyne/cm
    Molar Volume: 417.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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