ChemSpider 2D Image | 4-[(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino]-N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide | C29H35N5O7S

4-[(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino]-N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide

  • Molecular FormulaC29H35N5O7S
  • Average mass597.682 Da
  • Monoisotopic mass597.225708 Da
  • ChemSpider ID60759238

More details:

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

4-[(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino]-N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-yliden]butanamid [German] [ACD/IUPAC Name]
4-[(7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino]-N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide [ACD/IUPAC Name]
4-[(7-Acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl)amino]-N-[(2E)-5-(méthoxyméthyl)-1,3,4-thiadiazol-2(3H)-ylidène]butanamide [French] [ACD/IUPAC Name]
Butanamide, 4-[[7-(acetylamino)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]amino]-N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]- [ACD/Index Name]
4-[(7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl)amino]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.636
    Molar Refractivity: 156.3±0.5 cm3
    #H bond acceptors: 12
    #H bond donors: 3
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 0.16
    ACD/LogD (pH 5.5): 1.36
    ACD/BCF (pH 5.5): 6.37
    ACD/KOC (pH 5.5): 130.94
    ACD/LogD (pH 7.4): 1.36
    ACD/BCF (pH 7.4): 6.37
    ACD/KOC (pH 7.4): 131.00
    Polar Surface Area: 174 Å2
    Polarizability: 62.0±0.5 10-24cm3
    Surface Tension: 50.0±7.0 dyne/cm
    Molar Volume: 436.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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