Found 29 results

Search term: MF = 'C_{30}H_{47}N_{3}O_{6}S'
ChemSpider 2D Image | Dodecyl (1-{[4-(2-ethoxyethoxy)benzoyl]carbamothioyl}-3-oxo-2-piperazinyl)acetate | C30H47N3O6S

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

  • Molecular FormulaC30H47N3O6S
  • Average mass577.776 Da
  • Monoisotopic mass577.318542 Da
  • ChemSpider ID12573795

More details:

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

(1-{[4-(2-Éthoxyéthoxy)benzoyl]carbamothioyl}-3-oxo-2-pipérazinyl)acétate de dodécyle [French] [ACD/IUPAC Name]
2-Piperazineacetic acid, 1-[[[4-(2-ethoxyethoxy)benzoyl]amino]thioxomethyl]-3-oxo-, dodecyl ester [ACD/Index Name]
Dodecyl (1-{[4-(2-ethoxyethoxy)benzoyl]carbamothioyl}-3-oxo-2-piperazinyl)acetate [ACD/IUPAC Name]
Dodecyl-(1-{[4-(2-ethoxyethoxy)benzoyl]carbamothioyl}-3-oxo-2-piperazinyl)acetat [German] [ACD/IUPAC Name]
dodecyl [1-({[4-(2-ethoxyethoxy)benzoyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate
DODECYL 2-[1-({[4-(2-ETHOXYETHOXY)PHENYL]FORMAMIDO}METHANETHIOYL)-3-OXOPIPERAZIN-2-YL]ACETATE

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.530
Molar Refractivity: 159.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11485.57
ACD/KOC (pH 5.5): 28041.68
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11187.11
ACD/KOC (pH 7.4): 27313.00
Polar Surface Area: 138 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 516.4±3.0 cm3

Click to predict properties on the Chemicalize site


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