ChemSpider 2D Image | Ethyl 2-[({[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C28H28N4O4S2

Ethyl 2-[({[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC28H28N4O4S2
  • Average mass548.676 Da
  • Monoisotopic mass548.155212 Da
  • ChemSpider ID1375447

More details:

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

2-[(2-{[4-(4-Méthoxyphényl)-5-phényl-4H-1,2,4-triazol-3-yl]sulfanyl}acétyl)amino]-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2-[[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-[({[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-[({[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
333328-74-8 [RN]
AC1LWPGV
AGN-PC-0K8PGW
AKOS000587453
DJORBQBCNUUJLM-UHFFFAOYSA-N
ethyl 2-(2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AG-690/40753049 [DBID]
BAS 02240343 [DBID]

    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: 1.683
    Molar Refractivity: 151.7±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 8.74
    ACD/LogD (pH 5.5): 6.25
    ACD/BCF (pH 5.5): 33045.01
    ACD/KOC (pH 5.5): 59752.78
    ACD/LogD (pH 7.4): 6.25
    ACD/BCF (pH 7.4): 33044.72
    ACD/KOC (pH 7.4): 59752.26
    Polar Surface Area: 149 Å2
    Polarizability: 60.1±0.5 10-24cm3
    Surface Tension: 54.9±7.0 dyne/cm
    Molar Volume: 399.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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