ChemSpider 2D Image | N,N'-Bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexanediamide | C24H30N4O4S2

N,N'-Bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexanediamide

  • Molecular FormulaC24H30N4O4S2
  • Average mass502.649 Da
  • Monoisotopic mass502.170837 Da
  • ChemSpider ID1290699

More details:

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

Hexanediamide, N1,N6-bis[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]- [ACD/Index Name]
N,N'-Bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexandiamid [German] [ACD/IUPAC Name]
N,N'-Bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexanediamide [ACD/IUPAC Name]
N,N'-Bis(3-carbamoyl-4,5,6,7-tétrahydro-1-benzothiophén-2-yl)hexanediamide [French] [ACD/IUPAC Name]
2-{5-[N-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl]pentanoylamino}-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
307341-22-6 [RN]
hexanediamide, N,N'-bis[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-
Hexanedioic acid bis-[(3-carbamoyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-amide]
MFCD01180380
N,N'-bis[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]hexanediamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AG-690/12242145 [DBID]
ZINC01811321 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 746.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 108.8±3.0 kJ/mol
    Flash Point: 405.2±32.9 °C
    Index of Refraction: 1.684
    Molar Refractivity: 136.5±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 6
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 4.83
    ACD/LogD (pH 5.5): 3.78
    ACD/BCF (pH 5.5): 441.59
    ACD/KOC (pH 5.5): 2722.14
    ACD/LogD (pH 7.4): 3.78
    ACD/BCF (pH 7.4): 441.60
    ACD/KOC (pH 7.4): 2722.15
    Polar Surface Area: 201 Å2
    Polarizability: 54.1±0.5 10-24cm3
    Surface Tension: 69.2±3.0 dyne/cm
    Molar Volume: 359.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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