ChemSpider 2D Image | Ethyl 4-[({[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfonyl)acetyl]-1-piperazinecarboxylate | C21H27N3O7S

Ethyl 4-[({[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfonyl)acetyl]-1-piperazinecarboxylate

  • Molecular FormulaC21H27N3O7S
  • Average mass465.520 Da
  • Monoisotopic mass465.156982 Da
  • ChemSpider ID21903982

More details:






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

1-Piperazinecarboxylic acid, 4-[2-[[[2-(3-methoxyphenyl)-5-methyl-4-oxazolyl]methyl]sulfonyl]acetyl]-, ethyl ester [ACD/Index Name]
4-[2-({[2-(3-Méthoxyphényl)-5-méthyl-1,3-oxazol-4-yl]méthyl}sulfonyl)acétyl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[({[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfonyl)acetyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[({[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfonyl)acetyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 725.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.7±35.7 °C
Index of Refraction: 1.567
Molar Refractivity: 115.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.78
ACD/KOC (pH 5.5): 203.43
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.78
ACD/KOC (pH 7.4): 203.43
Polar Surface Area: 128 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 353.8±3.0 cm3

Click to predict properties on the Chemicalize site






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