ChemSpider 2D Image | Methyl 2-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-6-(2-methyl-2-butanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C26H29ClN2O4S

Methyl 2-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-6-(2-methyl-2-butanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC26H29ClN2O4S
  • Average mass501.038 Da
  • Monoisotopic mass500.153656 Da
  • ChemSpider ID4364729

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

2-({[3-(2-Chlorophényl)-5-méthyl-1,2-oxazol-4-yl]carbonyl}amino)-6-(2-méthyl-2-butanyl)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydro-, methyl ester [ACD/Index Name]
Methyl 2-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-6-(2-methyl-2-butanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Methyl-2-({[3-(2-chlorphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-6-(2-methyl-2-butanyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
2-{[3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino}-6-(1,1-dimethyl-propyl)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester
353768-66-8 [RN]
FMBQRESFOXQWCZ-UHFFFAOYSA-N
methyl 2-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
METHYL 2-[[3-(2-CHLOROPHENYL)-5-METHYL-1,2-OXAZOLE-4-CARBONYL]AMINO]-6-(2-METHYLBUTAN-2-YL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AK-968/12686119 [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: 601.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 89.4±3.0 kJ/mol
    Flash Point: 317.3±31.5 °C
    Index of Refraction: 1.601
    Molar Refractivity: 135.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 8.07
    ACD/LogD (pH 5.5): 7.31
    ACD/BCF (pH 5.5): 211580.98
    ACD/KOC (pH 5.5): 225710.55
    ACD/LogD (pH 7.4): 7.31
    ACD/BCF (pH 7.4): 211573.56
    ACD/KOC (pH 7.4): 225702.63
    Polar Surface Area: 110 Å2
    Polarizability: 53.6±0.5 10-24cm3
    Surface Tension: 51.9±3.0 dyne/cm
    Molar Volume: 394.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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