ChemSpider 2D Image | Ethyl 5-carbamoyl-2-[({4-[(4-methoxyphenyl)sulfonyl]-1-piperazinyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate | C22H28N4O7S2

Ethyl 5-carbamoyl-2-[({4-[(4-methoxyphenyl)sulfonyl]-1-piperazinyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate

  • Molecular FormulaC22H28N4O7S2
  • Average mass524.610 Da
  • Monoisotopic mass524.139954 Da
  • ChemSpider ID12715375

More details:

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

3-Thiophenecarboxylic acid, 5-(aminocarbonyl)-2-[[2-[4-[(4-methoxyphenyl)sulfonyl]-1-piperazinyl]acetyl]amino]-4-methyl-, ethyl ester [ACD/Index Name]
5-Carbamoyl-2-[(2-{4-[(4-méthoxyphényl)sulfonyl]-1-pipérazinyl}acétyl)amino]-4-méthyl-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-carbamoyl-2-[({4-[(4-methoxyphenyl)sulfonyl]-1-piperazinyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-5-carbamoyl-2-[({4-[(4-methoxyphenyl)sulfonyl]-1-piperazinyl}acetyl)amino]-4-methyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]
5-Carbamoyl-2-{2-[4-(4-methoxy-benzenesulfonyl)-piperazin-1-yl]-acetylamino}-4-methyl-thiophene-3-carboxylic acid ethyl ester
ethyl 5-carbamoyl-2-[({4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}acetyl)amino]-4-methylthiophene-3-carboxylate
ETHYL 5-CARBAMOYL-2-{2-[4-(4-METHOXYBENZENESULFONYL)PIPERAZIN-1-YL]ACETAMIDO}-4-METHYLTHIOPHENE-3-CARBOXYLATE
MFCD05123167

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 130.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.21
ACD/KOC (pH 5.5): 712.31
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 69.10
ACD/KOC (pH 7.4): 721.59
Polar Surface Area: 185 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 377.2±3.0 cm3

Click to predict properties on the Chemicalize site


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