ChemSpider 2D Image | AZ 33 | C25H27N3O6S

AZ 33

  • Molecular FormulaC25H27N3O6S
  • Average mass497.563 Da
  • Monoisotopic mass497.162048 Da
  • ChemSpider ID28515537

More details:

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

{4-[4-({3-[(2-Methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}malonic acid [ACD/IUPAC Name]
{4-[4-({3-[(2-Methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}malonsäure [German] [ACD/IUPAC Name]
{4-[4-({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}propanedioic acid
1370290-34-8 [RN]
2-({4-[3-({2-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]ethyl}carbamoyl)propyl]phenyl}methyl)propanedioic acid
Acide {4-[4-({3-[(2-méthyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}malonique [French] [ACD/IUPAC Name]
AZ 33
Propanedioic acid, 2-[[4-[4-[[3-[(2-methyl-6-benzothiazolyl)amino]-3-oxopropyl]amino]-4-oxobutyl]phenyl]methyl]- [ACD/Index Name]
{4-[4-({3-[(2-Methyl-1,3-Benzothiazol-6-Yl)amino]-3-Oxopropyl}amino)-4-Oxobutyl]benzyl} Propanedioic Acid
2-(4-(4-((3-((2-methylbenzo[d]thiazol-6-yl)amino)-3-oxopropyl)amino)-4-oxobutyl)benzyl)malonic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 843.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 128.5±3.0 kJ/mol
    Flash Point: 464.2±34.3 °C
    Index of Refraction: 1.659
    Molar Refractivity: 132.8±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 0
    ACD/LogP: 2.30
    ACD/LogD (pH 5.5): 0.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.88
    ACD/LogD (pH 7.4): -2.12
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 174 Å2
    Polarizability: 52.7±0.5 10-24cm3
    Surface Tension: 67.1±3.0 dyne/cm
    Molar Volume: 360.2±3.0 cm3

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