ChemSpider 2D Image | (1-{2-[(2-Methyl-2-propanyl)sulfanyl]benzyl}-2-piperidinyl)methyl 4-(3,5-dimethoxyphenyl)-1-piperazinecarboxylate | C30H43N3O4S

(1-{2-[(2-Methyl-2-propanyl)sulfanyl]benzyl}-2-piperidinyl)methyl 4-(3,5-dimethoxyphenyl)-1-piperazinecarboxylate

  • Molecular FormulaC30H43N3O4S
  • Average mass541.745 Da
  • Monoisotopic mass541.297424 Da
  • ChemSpider ID5165781

More details:

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

(1-{2-[(2-Methyl-2-propanyl)sulfanyl]benzyl}-2-piperidinyl)methyl 4-(3,5-dimethoxyphenyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
(1-{2-[(2-Methyl-2-propanyl)sulfanyl]benzyl}-2-piperidinyl)methyl-4-(3,5-dimethoxyphenyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
1-Piperazinecarboxylic acid, 4-(3,5-dimethoxyphenyl)-, [1-[[2-[(1,1-dimethylethyl)thio]phenyl]methyl]-2-piperidinyl]methyl ester [ACD/Index Name]
4-(3,5-Diméthoxyphényl)-1-pipérazinecarboxylate de (1-{2-[(2-méthyl-2-propanyl)sulfanyl]benzyl}-2-pipéridinyl)méthyle [French] [ACD/IUPAC Name]

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

Cerep_001230 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 666.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 356.9±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 155.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 16.48
ACD/KOC (pH 5.5): 44.25
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 729.13
ACD/KOC (pH 7.4): 1958.13
Polar Surface Area: 80 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 452.4±5.0 cm3

Click to predict properties on the Chemicalize site


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