ChemSpider 2D Image | Ethyl 2-{[({5-[5-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)pentyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate | C30H30N4O6S2

Ethyl 2-{[({5-[5-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)pentyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate

  • Molecular FormulaC30H30N4O6S2
  • Average mass606.712 Da
  • Monoisotopic mass606.160645 Da
  • ChemSpider ID3197769

More details:

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

2-{[2-({5-[5-(1,3-Dioxo-1H-benzo[de]isoquinoléin-2(3H)-yl)pentyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acétyl]amino}-4,5-diméthyl-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[[2-[[5-[5-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)pentyl]-1,3,4-oxadiazol-2-yl]thio]acetyl]amino]-4,5-dimethyl-, ethyl ester [ACD/Index Name]
Ethyl 2-{[({5-[5-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)pentyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate [ACD/IUPAC Name]
ethyl 2-{[({5-[5-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)pentyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate
Ethyl-2-{[({5-[5-(1,3-dioxo-1H-benzo[de]isochinolin-2(3H)-yl)pentyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-4,5-dimethyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]
2-(2-{5-[5-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-pentyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetylamino)-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester
488087-43-0 [RN]
AC1N1AIO
AGN-PC-0L37LX
AKOS002160887
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AF-399/41346082 [DBID]
ZINC08433218 [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: 1.674
    Molar Refractivity: 160.5±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 5.00
    ACD/LogD (pH 5.5): 5.01
    ACD/BCF (pH 5.5): 3772.78
    ACD/KOC (pH 5.5): 12640.61
    ACD/LogD (pH 7.4): 5.01
    ACD/BCF (pH 7.4): 3772.68
    ACD/KOC (pH 7.4): 12640.28
    Polar Surface Area: 185 Å2
    Polarizability: 63.6±0.5 10-24cm3
    Surface Tension: 74.8±5.0 dyne/cm
    Molar Volume: 427.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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