ChemSpider 2D Image | Methyl [(2E)-2-{[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)benzoyl]imino}-6-nitro-1,3-benzothiazol-3(2H)-yl]acetate | C26H22N4O7S2

Methyl [(2E)-2-{[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)benzoyl]imino}-6-nitro-1,3-benzothiazol-3(2H)-yl]acetate

  • Molecular FormulaC26H22N4O7S2
  • Average mass566.606 Da
  • Monoisotopic mass566.093018 Da
  • ChemSpider ID2731163

  • Double-bond stereo - Double-bond stereo

More details:

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

[(2E)-2-{[4-(3,4-Dihydro-1(2H)-quinoléinylsulfonyl)benzoyl]imino}-6-nitro-1,3-benzothiazol-3(2H)-yl]acétate de méthyle [French] [ACD/IUPAC Name]
3(2H)-Benzothiazoleacetic acid, 2-[[4-[(3,4-dihydro-1(2H)-quinolinyl)sulfonyl]benzoyl]imino]-6-nitro-, methyl ester, (2E)- [ACD/Index Name]
Methyl [(2E)-2-{[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)benzoyl]imino}-6-nitro-1,3-benzothiazol-3(2H)-yl]acetate [ACD/IUPAC Name]
Methyl-[(2E)-2-{[4-(3,4-dihydro-1(2H)-chinolinylsulfonyl)benzoyl]imino}-6-nitro-1,3-benzothiazol-3(2H)-yl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 759.8±70.0 °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: 413.3±35.7 °C
Index of Refraction: 1.712
Molar Refractivity: 146.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 436.50
ACD/KOC (pH 5.5): 2699.62
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 436.50
ACD/KOC (pH 7.4): 2699.62
Polar Surface Area: 176 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 67.0±7.0 dyne/cm
Molar Volume: 374.5±7.0 cm3

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