ChemSpider 2D Image | Ethyl [(2Z)-6-nitro-2-[({[2-oxo-2-(1-piperidinyl)ethyl]sulfonyl}acetyl)imino]-1,3-benzothiazol-3(2H)-yl]acetate | C20H24N4O8S2

Ethyl [(2Z)-6-nitro-2-[({[2-oxo-2-(1-piperidinyl)ethyl]sulfonyl}acetyl)imino]-1,3-benzothiazol-3(2H)-yl]acetate

  • Molecular FormulaC20H24N4O8S2
  • Average mass512.557 Da
  • Monoisotopic mass512.103577 Da
  • ChemSpider ID3657511

  • Double-bond stereo - Double-bond stereo

More details:

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

[(2Z)-6-Nitro-2-[(2-{[2-oxo-2-(1-pipéridinyl)éthyl]sulfonyl}acétyl)imino]-1,3-benzothiazol-3(2H)-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
3(2H)-Benzothiazoleacetic acid, 6-nitro-2-[[2-[[2-oxo-2-(1-piperidinyl)ethyl]sulfonyl]acetyl]imino]-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl [(2Z)-6-nitro-2-[({[2-oxo-2-(1-piperidinyl)ethyl]sulfonyl}acetyl)imino]-1,3-benzothiazol-3(2H)-yl]acetate [ACD/IUPAC Name]
Ethyl-[(2Z)-6-nitro-2-[({[2-oxo-2-(1-piperidinyl)ethyl]sulfonyl}acetyl)imino]-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: 767.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 418.1±35.7 °C
Index of Refraction: 1.675
Molar Refractivity: 125.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.15
ACD/KOC (pH 5.5): 156.24
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.15
ACD/KOC (pH 7.4): 156.24
Polar Surface Area: 193 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 68.0±7.0 dyne/cm
Molar Volume: 332.6±7.0 cm3

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