ChemSpider 2D Image | Ethyl 4-{[(2-{(Z)-[6-methoxy-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazol-2(3H)-ylidene]amino}-2-oxoethyl)sulfanyl]acetyl}-1-piperazinecarboxylate | C22H28N4O7S2

Ethyl 4-{[(2-{(Z)-[6-methoxy-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazol-2(3H)-ylidene]amino}-2-oxoethyl)sulfanyl]acetyl}-1-piperazinecarboxylate

  • Molecular FormulaC22H28N4O7S2
  • Average mass524.610 Da
  • Monoisotopic mass524.139954 Da
  • ChemSpider ID3375450

  • Double-bond stereo - Double-bond stereo

More details:

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

3(2H)-Benzothiazoleacetic acid, 2-[[2-[[2-[4-(ethoxycarbonyl)-1-piperazinyl]-2-oxoethyl]thio]acetyl]imino]-6-methoxy-, methyl ester, (2Z)- [ACD/Index Name]
4-{2-[(2-{(Z)-[6-Méthoxy-3-(2-méthoxy-2-oxoéthyl)-1,3-benzothiazol-2(3H)-ylidène]amino}-2-oxoéthyl)sulfanyl]acétyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[(2-{(Z)-[6-methoxy-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazol-2(3H)-ylidene]amino}-2-oxoethyl)sulfanyl]acetyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{[(2-{(Z)-[6-methoxy-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazol-2(3H)-yliden]amino}-2-oxoethyl)sulfanyl]acetyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 701.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 378.3±35.7 °C
Index of Refraction: 1.637
Molar Refractivity: 133.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.59
ACD/KOC (pH 5.5): 334.34
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.59
ACD/KOC (pH 7.4): 334.34
Polar Surface Area: 169 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 372.9±7.0 cm3

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