ChemSpider 2D Image | 3-Phenylpropyl (3-oxo-1-{[4-(2-phenoxyethoxy)benzoyl]carbamothioyl}-2-piperazinyl)acetate | C31H33N3O6S

3-Phenylpropyl (3-oxo-1-{[4-(2-phenoxyethoxy)benzoyl]carbamothioyl}-2-piperazinyl)acetate

  • Molecular FormulaC31H33N3O6S
  • Average mass575.675 Da
  • Monoisotopic mass575.208984 Da
  • ChemSpider ID4134519

More details:






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

(3-Oxo-1-{[4-(2-phénoxyéthoxy)benzoyl]carbamothioyl}-2-pipérazinyl)acétate de 3-phénylpropyle [French] [ACD/IUPAC Name]
2-Piperazineacetic acid, 3-oxo-1-[[[4-(2-phenoxyethoxy)benzoyl]amino]thioxomethyl]-, 3-phenylpropyl ester [ACD/Index Name]
3-Phenylpropyl (3-oxo-1-{[4-(2-phenoxyethoxy)benzoyl]carbamothioyl}-2-piperazinyl)acetate [ACD/IUPAC Name]
3-Phenylpropyl-(3-oxo-1-{[4-(2-phenoxyethoxy)benzoyl]carbamothioyl}-2-piperazinyl)acetat [German] [ACD/IUPAC Name]
3-phenylpropyl [3-oxo-1-({[4-(2-phenoxyethoxy)benzoyl]amino}carbonothioyl)-2-piperazinyl]acetate
3-PHENYLPROPYL 2-[3-OXO-1-({[4-(2-PHENOXYETHOXY)PHENYL]FORMAMIDO}METHANETHIOYL)PIPERAZIN-2-YL]ACETATE

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: 1.605
Molar Refractivity: 157.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 686.78
ACD/KOC (pH 5.5): 3733.80
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 668.57
ACD/KOC (pH 7.4): 3634.82
Polar Surface Area: 138 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 457.6±3.0 cm3

Click to predict properties on the Chemicalize site






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