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

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

  • Molecular FormulaC21H27N5O4S
  • Average mass445.535 Da
  • Monoisotopic mass445.178375 Da
  • ChemSpider ID30673300
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4-Méthyl-2-({N-[(4-phényl-1-pipérazinyl)carbonyl]-L-alanyl}amino)-1,3-thiazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 4-methyl-2-[[(2S)-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]-L-alanyl}amino)-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-4-methyl-2-({N-[(4-phenyl-1-piperazinyl)carbonyl]-L-alanyl}amino)-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]
1314015-66-1 [RN]
C21H27N5O4S
ethyl 4-methyl-2-({N-[(4-phenylpiperazin-1-yl)carbonyl]-L-alanyl}amino)-1,3-thiazole-5-carboxylate
ethyl 4-methyl-2-[[(2S)-2-[(4-phenylpiperazine-1-carbonyl)amino]propanoyl]amino]-1,3-thiazole-5-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 119.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.19
ACD/KOC (pH 5.5): 461.12
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.08
ACD/KOC (pH 7.4): 422.56
Polar Surface Area: 132 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 340.6±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement