ChemSpider 2D Image | Ethyl 4-methyl-2-({N-[(4-phenyl-1-piperazinyl)carbonyl]alanyl}amino)-1,3-thiazole-5-carboxylate | C21H27N5O4S

Ethyl 4-methyl-2-({N-[(4-phenyl-1-piperazinyl)carbonyl]alanyl}amino)-1,3-thiazole-5-carboxylate

  • Molecular FormulaC21H27N5O4S
  • Average mass445.535 Da
  • Monoisotopic mass445.178375 Da
  • ChemSpider ID27329869

More details:

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

4-Méthyl-2-({N-[(4-phényl-1-pipérazinyl)carbonyl]alanyl}amino)-1,3-thiazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 4-methyl-2-[[1-oxo-2-[[(4-phenyl-1-piperazinyl)carbonyl]amino]propyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-methyl-2-({N-[(4-phenyl-1-piperazinyl)carbonyl]alanyl}amino)-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-4-methyl-2-({N-[(4-phenyl-1-piperazinyl)carbonyl]alanyl}amino)-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]
ethyl (2Z)-4-methyl-2-({(Z)-N-[(4-phenylpiperazin-1-yl)carbonyl]alanyl}imino)-2,3-dihydro-1,3-thiazole-5-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 120.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.27
ACD/KOC (pH 5.5): 220.66
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.44
ACD/KOC (pH 7.4): 223.57
Polar Surface Area: 129 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 330.8±7.0 cm3

Click to predict properties on the Chemicalize site


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