ChemSpider 2D Image | Ethyl 4-[({2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl}carbamothioyl)amino]benzoate | C22H27ClN4O2S

Ethyl 4-[({2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl}carbamothioyl)amino]benzoate

  • Molecular FormulaC22H27ClN4O2S
  • Average mass446.993 Da
  • Monoisotopic mass446.154327 Da
  • ChemSpider ID22497099

More details:

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

4-[({2-[4-(3-Chlorophényl)-1-pipérazinyl]éthyl}carbamothioyl)amino]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[[2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl]amino]thioxomethyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-[({2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl}carbamothioyl)amino]benzoate [ACD/IUPAC Name]
Ethyl-4-[({2-[4-(3-chlorphenyl)-1-piperazinyl]ethyl}carbamothioyl)amino]benzoat [German] [ACD/IUPAC Name]
ETHYL 4-[({2-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]ETHYL}CARBAMOTHIOYL)AMINO]BENZOATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 589.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.6±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 125.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 116.97
ACD/KOC (pH 5.5): 589.14
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 828.86
ACD/KOC (pH 7.4): 4174.54
Polar Surface Area: 89 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 350.8±3.0 cm3

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