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

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

  • Molecular FormulaC29H35N5O7S
  • Average mass597.682 Da
  • Monoisotopic mass597.225708 Da
  • ChemSpider ID30716824

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamid [German] [ACD/IUPAC Name]
4-{[(7S)-7-Acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide [ACD/IUPAC Name]
4-{[(7S)-7-Acétamido-1,2,3-triméthoxy-9-oxo-5,6,7,9-tétrahydrobenzo[a]heptalén-10-yl]amino}-N-[5-(méthoxyméthyl)-1,3,4-thiadiazol-2-yl]butanamide [French] [ACD/IUPAC Name]
Butanamide, 4-[[(7S)-7-(acetylamino)-5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-10-yl]amino]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]- [ACD/Index Name]
(S)-4-((7-acetamido-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl)amino)-N-(5-(methoxymethyl)-1,3,4-thiadiazol-2-yl)butanamide
1574379-88-6 [RN]
4-[[(7S)-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
MolPort-029-884-987

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.618
    Molar Refractivity: 155.6±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 3
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 0.61
    ACD/LogD (pH 5.5): 1.05
    ACD/BCF (pH 5.5): 3.71
    ACD/KOC (pH 5.5): 88.91
    ACD/LogD (pH 7.4): 1.05
    ACD/BCF (pH 7.4): 3.70
    ACD/KOC (pH 7.4): 88.83
    Polar Surface Area: 178 Å2
    Polarizability: 61.7±0.5 10-24cm3
    Surface Tension: 64.4±5.0 dyne/cm
    Molar Volume: 444.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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