ChemSpider 2D Image | Methyl 2-({[4-(2-amino-2-oxoethyl)-1-piperazinyl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate | C18H26N4O5S

Methyl 2-({[4-(2-amino-2-oxoethyl)-1-piperazinyl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate

  • Molecular FormulaC18H26N4O5S
  • Average mass410.488 Da
  • Monoisotopic mass410.162384 Da
  • ChemSpider ID21530505

More details:

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

2-({[4-(2-Amino-2-oxoéthyl)-1-pipérazinyl]carbonyl}amino)-5,5-diméthyl-4,7-dihydro-5H-thiéno[2,3-c]pyrane-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
5H-Thieno[2,3-c]pyran-3-carboxylic acid, 2-[[[4-(2-amino-2-oxoethyl)-1-piperazinyl]carbonyl]amino]-4,7-dihydro-5,5-dimethyl-, methyl ester [ACD/Index Name]
Methyl 2-({[4-(2-amino-2-oxoethyl)-1-piperazinyl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate [ACD/IUPAC Name]
Methyl-2-({[4-(2-amino-2-oxoethyl)-1-piperazinyl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylat [German] [ACD/IUPAC Name]
919738-52-6 [RN]
methyl 2-({[4-(2-amino-2-oxoethyl)piperazin-1-yl]carbonyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
methyl 2-[[4-(2-amino-2-oxoethyl)piperazine-1-carbonyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 690.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.2±3.0 kJ/mol
    Flash Point: 371.3±31.5 °C
    Index of Refraction: 1.598
    Molar Refractivity: 105.5±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.11
    ACD/LogD (pH 5.5): 1.68
    ACD/BCF (pH 5.5): 10.96
    ACD/KOC (pH 5.5): 190.84
    ACD/LogD (pH 7.4): 1.70
    ACD/BCF (pH 7.4): 11.43
    ACD/KOC (pH 7.4): 199.07
    Polar Surface Area: 142 Å2
    Polarizability: 41.8±0.5 10-24cm3
    Surface Tension: 56.6±3.0 dyne/cm
    Molar Volume: 309.2±3.0 cm3

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