ChemSpider 2D Image | Methyl 2-({[2-amino-1-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | C26H29N5O4S

Methyl 2-({[2-amino-1-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Molecular FormulaC26H29N5O4S
  • Average mass507.605 Da
  • Monoisotopic mass507.194031 Da
  • ChemSpider ID1481321

More details:

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

2-({[2-Amino-1-(3-éthoxypropyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-amino-1-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl]amino]-4,5,6,7-tetrahydro-, methyl ester [ACD/Index Name]
Methyl 2-({[2-amino-1-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Methyl-2-({[2-amino-1-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]chinoxalin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxylat [German] [ACD/IUPAC Name]
2-{[2-Amino-1-(3-ethoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-be nzo[b]thiophene-3-carboxylic acid methyl ester
371124-68-4 [RN]
cid_1930774
methyl 2-(2-amino-1-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
methyl 2-[[2-amino-1-(3-ethoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

MLS000595324 [DBID]
SMR000149847 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 702.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 102.8±3.0 kJ/mol
    Flash Point: 378.7±32.9 °C
    Index of Refraction: 1.709
    Molar Refractivity: 136.6±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 6.73
    ACD/LogD (pH 5.5): 5.18
    ACD/BCF (pH 5.5): 5138.80
    ACD/KOC (pH 5.5): 15766.15
    ACD/LogD (pH 7.4): 5.18
    ACD/BCF (pH 7.4): 5130.92
    ACD/KOC (pH 7.4): 15741.97
    Polar Surface Area: 150 Å2
    Polarizability: 54.1±0.5 10-24cm3
    Surface Tension: 58.7±7.0 dyne/cm
    Molar Volume: 350.0±7.0 cm3

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