ChemSpider 2D Image | Diethyl 2-{[(4-phenyl-1-piperazinyl)carbonothioyl]amino}-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate | C24H30N4O4S2

Diethyl 2-{[(4-phenyl-1-piperazinyl)carbonothioyl]amino}-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate

  • Molecular FormulaC24H30N4O4S2
  • Average mass502.649 Da
  • Monoisotopic mass502.170837 Da
  • ChemSpider ID857728

More details:

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

2-{[(4-Phényl-1-pipérazinyl)carbonothioyl]amino}-4,7-dihydrothiéno[2,3-c]pyridine-3,6(5H)-dicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 2-{[(4-phenyl-1-piperazinyl)carbonothioyl]amino}-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate [ACD/IUPAC Name]
Diethyl-2-{[(4-phenyl-1-piperazinyl)carbonothioyl]amino}-4,7-dihydrothieno[2,3-c]pyridin-3,6(5H)-dicarboxylat [German] [ACD/IUPAC Name]
Thieno[2,3-c]pyridine-3,6(5H)-dicarboxylic acid, 4,7-dihydro-2-[[(4-phenyl-1-piperazinyl)thioxomethyl]amino]-, diethyl ester [ACD/Index Name]
667883-36-5 [RN]
AC1LKFE1
AGN-PC-0JZ1KA
diethyl 2-(4-phenylpiperazine-1-carbothioamido)-4,5-dihydrothieno[2,3-c]pyridine-3,6(7H)-dicarboxylate
diethyl 2-[(4-phenylpiperazine-1-carbothioyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
diethyl 2-{[(4-phenyl-1-piperazinyl)carbothioyl]amino}-4,7-dihydrothieno[2,3-c]pyridine-3,6(5H)-dicarboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AO-476/41839699 [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: 664.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.7±3.0 kJ/mol
    Flash Point: 355.5±34.3 °C
    Index of Refraction: 1.652
    Molar Refractivity: 137.2±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.21
    ACD/LogD (pH 5.5): 4.40
    ACD/BCF (pH 5.5): 1298.62
    ACD/KOC (pH 5.5): 5852.56
    ACD/LogD (pH 7.4): 4.41
    ACD/BCF (pH 7.4): 1328.91
    ACD/KOC (pH 7.4): 5989.07
    Polar Surface Area: 135 Å2
    Polarizability: 54.4±0.5 10-24cm3
    Surface Tension: 64.7±3.0 dyne/cm
    Molar Volume: 375.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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