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

Ethyl 2-({[2-amino-1-(3-methoxypropyl)-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 ID1479509

More details:

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

2-({[2-Amino-1-(3-méthoxypropyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
2-[[[2-amino-1-(3-methoxypropyl)-3-pyrrolo[3,2-b]quinoxalinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-amino-1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl]amino]-4,5,6,7-tetrahydro-, ethyl ester [ACD/Index Name]
Ethyl 2-({[2-amino-1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-({[2-amino-1-(3-methoxypropyl)-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-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
2-{[2-Amino-1-(3-methoxy-propyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonyl]-amino}-4,5,6,7-tetrahydro-b enzo[b]thiophene-3-carboxylic acid ethyl ester
370847-74-8 [RN]
AC1LYKWT
AGN-PC-0KADBX
More...

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

MLS000595320 [DBID]
SMR000149843 [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): 5138.87
    ACD/KOC (pH 5.5): 15766.38
    ACD/LogD (pH 7.4): 5.18
    ACD/BCF (pH 7.4): 5131.93
    ACD/KOC (pH 7.4): 15745.08
    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

    Click to predict properties on the Chemicalize site


    Advertisement