ChemSpider 2D Image | Decyl {1-[(2-nitrobenzoyl)carbamothioyl]-3-oxo-2-piperazinyl}acetate | C24H34N4O6S

Decyl {1-[(2-nitrobenzoyl)carbamothioyl]-3-oxo-2-piperazinyl}acetate

  • Molecular FormulaC24H34N4O6S
  • Average mass506.615 Da
  • Monoisotopic mass506.219910 Da
  • ChemSpider ID12572739

More details:

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

{1-[(2-Nitrobenzoyl)carbamothioyl]-3-oxo-2-pipérazinyl}acétate de décyle [French] [ACD/IUPAC Name]
2-Piperazineacetic acid, 1-[[(2-nitrobenzoyl)amino]thioxomethyl]-3-oxo-, decyl ester [ACD/Index Name]
Decyl {1-[(2-nitrobenzoyl)carbamothioyl]-3-oxo-2-piperazinyl}acetate [ACD/IUPAC Name]
Decyl-{1-[(2-nitrobenzoyl)carbamothioyl]-3-oxo-2-piperazinyl}acetat [German] [ACD/IUPAC Name]
decyl (1-{[(2-nitrobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate
DECYL 2-(1-{[(2-NITROPHENYL)FORMAMIDO]METHANETHIOYL}-3-OXOPIPERAZIN-2-YL)ACETATE

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: 1.561
Molar Refractivity: 134.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 898.98
ACD/KOC (pH 5.5): 4519.46
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 595.52
ACD/KOC (pH 7.4): 2993.85
Polar Surface Area: 166 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 415.4±3.0 cm3

Click to predict properties on the Chemicalize site


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