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

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

  • Molecular FormulaC22H28N4O7S2
  • Average mass524.610 Da
  • Monoisotopic mass524.139954 Da
  • ChemSpider ID3805482

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[[2-[[(2Z)-6-methoxy-3-(2-propen-1-yl)-2(3H)-benzothiazolylidene]amino]-2-oxoethyl]sulfonyl]acetyl]-, ethyl ester [ACD/Index Name]
4-[2-({2-[(Z)-(3-Allyl-6-méthoxy-1,3-benzothiazol-2(3H)-ylidène)amino]-2-oxoéthyl}sulfonyl)acétyl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[({2-[(Z)-(3-allyl-6-methoxy-1,3-benzothiazol-2(3H)-ylidene)amino]-2-oxoethyl}sulfonyl)acetyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[({2-[(Z)-(3-allyl-6-methoxy-1,3-benzothiazol-2(3H)-yliden)amino]-2-oxoethyl}sulfonyl)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: 761.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 414.6±35.7 °C
Index of Refraction: 1.631
Molar Refractivity: 133.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.45
ACD/KOC (pH 5.5): 160.37
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.45
ACD/KOC (pH 7.4): 160.37
Polar Surface Area: 160 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 374.9±7.0 cm3

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