ChemSpider 2D Image | N,N'-Bis(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)hexanediamide | C26H34N4O4S2

N,N'-Bis(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)hexanediamide

  • Molecular FormulaC26H34N4O4S2
  • Average mass530.703 Da
  • Monoisotopic mass530.202148 Da
  • ChemSpider ID3617580

More details:

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

Hexanediamide, N1,N6-bis[3-(aminocarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]- [ACD/Index Name]
N,N'-Bis(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)hexandiamid [German] [ACD/IUPAC Name]
N,N'-Bis(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)hexanediamide [ACD/IUPAC Name]
N,N'-Bis(3-carbamoyl-5,6,7,8-tétrahydro-4H-cyclohepta[b]thiophén-2-yl)hexanediamide [French] [ACD/IUPAC Name]
2-{5-[N-(3-carbamoyl-4,5,6,7,8-pentahydrocyclohepta[1,2-d]thiophen-2-yl)carbamoyl]pentanoylamino}-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophene-3-carboxamide
Hexanedioic acid bis-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-amide]
MFCD03402174

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 760.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 110.7±3.0 kJ/mol
    Flash Point: 413.6±32.9 °C
    Index of Refraction: 1.659
    Molar Refractivity: 145.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 6
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 3
    ACD/LogP: 5.95
    ACD/LogD (pH 5.5): 4.66
    ACD/BCF (pH 5.5): 2057.82
    ACD/KOC (pH 5.5): 8190.95
    ACD/LogD (pH 7.4): 4.66
    ACD/BCF (pH 7.4): 2057.82
    ACD/KOC (pH 7.4): 8190.95
    Polar Surface Area: 201 Å2
    Polarizability: 57.8±0.5 10-24cm3
    Surface Tension: 64.0±3.0 dyne/cm
    Molar Volume: 395.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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