ChemSpider 2D Image | 2-Phenylethyl 4-[({2-[2-(decyloxy)-2-oxoethyl]-3-oxo-1-piperazinyl}carbonothioyl)amino]-4-oxobutanoate | C29H43N3O6S

2-Phenylethyl 4-[({2-[2-(decyloxy)-2-oxoethyl]-3-oxo-1-piperazinyl}carbonothioyl)amino]-4-oxobutanoate

  • Molecular FormulaC29H43N3O6S
  • Average mass561.733 Da
  • Monoisotopic mass561.287231 Da
  • ChemSpider ID12572790

More details:

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

2-Phenylethyl 4-[({2-[2-(decyloxy)-2-oxoethyl]-3-oxo-1-piperazinyl}carbonothioyl)amino]-4-oxobutanoate [ACD/IUPAC Name]
2-Phenylethyl-4-[({2-[2-(decyloxy)-2-oxoethyl]-3-oxo-1-piperazinyl}carbonothioyl)amino]-4-oxobutanoat [German] [ACD/IUPAC Name]
2-Piperazineacetic acid, 1-[[[1,4-dioxo-4-(2-phenylethoxy)butyl]amino]thioxomethyl]-3-oxo-, decyl ester [ACD/Index Name]
4-[({2-[2-(Décyloxy)-2-oxoéthyl]-3-oxo-1-pipérazinyl}carbonothioyl)amino]-4-oxobutanoate de 2-phényléthyle [French] [ACD/IUPAC Name]
2-PHENYLETHYL 3-({2-[2-(DECYLOXY)-2-OXOETHYL]-3-OXOPIPERAZINE-1-CARBOTHIOYL}CARBAMOYL)PROPANOATE

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.537
Molar Refractivity: 152.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6019.27
ACD/KOC (pH 5.5): 17659.53
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 5981.51
ACD/KOC (pH 7.4): 17548.74
Polar Surface Area: 146 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 487.9±3.0 cm3

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