ChemSpider 2D Image | 4-{3-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl}-N-(2-phenylethyl)benzenesulfonamide | C29H33N3O5S

4-{3-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl}-N-(2-phenylethyl)benzenesulfonamide

  • Molecular FormulaC29H33N3O5S
  • Average mass535.654 Da
  • Monoisotopic mass535.214111 Da
  • ChemSpider ID2228297

More details:

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

4-{3-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl}-N-(2-phenylethyl)benzenesulfonamide [ACD/IUPAC Name]
4-{3-[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]-3-oxopropyl}-N-(2-phényléthyl)benzènesulfonamide [French] [ACD/IUPAC Name]
4-{3-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl}-N-(2-phenylethyl)benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]-N-(2-phenylethyl)- [ACD/Index Name]

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

MLS000530933 [DBID]
SMR000135911 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 723.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.5±35.7 °C
Index of Refraction: 1.627
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 119.66
ACD/KOC (pH 5.5): 803.56
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 319.76
ACD/KOC (pH 7.4): 2147.26
Polar Surface Area: 97 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 414.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement