ChemSpider 2D Image | Ethyl 4-({4-[2-(dibenzylamino)-2-oxoethyl]-1-piperazinyl}sulfonyl)benzoate | C29H33N3O5S

Ethyl 4-({4-[2-(dibenzylamino)-2-oxoethyl]-1-piperazinyl}sulfonyl)benzoate

  • Molecular FormulaC29H33N3O5S
  • Average mass535.654 Da
  • Monoisotopic mass535.214111 Da
  • ChemSpider ID4032614

More details:

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

4-({4-[2-(Dibenzylamino)-2-oxoéthyl]-1-pipérazinyl}sulfonyl)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[4-[2-[bis(phenylmethyl)amino]-2-oxoethyl]-1-piperazinyl]sulfonyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-({4-[2-(dibenzylamino)-2-oxoethyl]-1-piperazinyl}sulfonyl)benzoate [ACD/IUPAC Name]
Ethyl-4-({4-[2-(dibenzylamino)-2-oxoethyl]-1-piperazinyl}sulfonyl)benzoat [German] [ACD/IUPAC Name]
ETHYL 4-({4-[(DIBENZYLCARBAMOYL)METHYL]PIPERAZIN-1-YL}SULFONYL)BENZOATE
ETHYL 4-{4-[(DIBENZYLCARBAMOYL)METHYL]PIPERAZIN-1-YLSULFONYL}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: 705.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.2±35.7 °C
Index of Refraction: 1.608
Molar Refractivity: 147.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1217.36
ACD/KOC (pH 5.5): 5591.19
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1243.32
ACD/KOC (pH 7.4): 5710.43
Polar Surface Area: 96 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 426.6±3.0 cm3

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