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

Methyl [(2Z)-2-[({[2-(2-methyl-1-piperidinyl)-2-oxoethyl]sulfonyl}acetyl)imino]-6-nitro-1,3-benzothiazol-3(2H)-yl]acetate

  • Molecular FormulaC20H24N4O8S2
  • Average mass512.557 Da
  • Monoisotopic mass512.103577 Da
  • ChemSpider ID3360957

  • Double-bond stereo - Double-bond stereo

More details:

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

[(2Z)-2-[(2-{[2-(2-Méthyl-1-pipéridinyl)-2-oxoéthyl]sulfonyl}acétyl)imino]-6-nitro-1,3-benzothiazol-3(2H)-yl]acétate de méthyle [French] [ACD/IUPAC Name]
3(2H)-Benzothiazoleacetic acid, 2-[[2-[[2-(2-methyl-1-piperidinyl)-2-oxoethyl]sulfonyl]acetyl]imino]-6-nitro-, methyl ester, (2Z)- [ACD/Index Name]
Methyl [(2Z)-2-[({[2-(2-methyl-1-piperidinyl)-2-oxoethyl]sulfonyl}acetyl)imino]-6-nitro-1,3-benzothiazol-3(2H)-yl]acetate [ACD/IUPAC Name]
Methyl-[(2Z)-2-[({[2-(2-methyl-1-piperidinyl)-2-oxoethyl]sulfonyl}acetyl)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: 760.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 413.7±35.7 °C
Index of Refraction: 1.676
Molar Refractivity: 124.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.30
ACD/KOC (pH 5.5): 158.32
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.30
ACD/KOC (pH 7.4): 158.32
Polar Surface Area: 193 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 66.6±7.0 dyne/cm
Molar Volume: 331.7±7.0 cm3

Click to predict properties on the Chemicalize site


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