ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-N'-{1-[4-(4-fluorophenyl)-1-piperazinyl]-1-(2-thienyl)-2-propanyl}ethanediamide | C27H29FN4O4S

N-(1,3-Benzodioxol-5-ylmethyl)-N'-{1-[4-(4-fluorophenyl)-1-piperazinyl]-1-(2-thienyl)-2-propanyl}ethanediamide

  • Molecular FormulaC27H29FN4O4S
  • Average mass524.607 Da
  • Monoisotopic mass524.189331 Da
  • ChemSpider ID20271169

More details:

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

Ethanediamide, N1-(1,3-benzodioxol-5-ylmethyl)-N2-[2-[4-(4-fluorophenyl)-1-piperazinyl]-1-methyl-2-(2-thienyl)ethyl]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-ylmethyl)-N'-{1-[4-(4-fluorophenyl)-1-piperazinyl]-1-(2-thienyl)-2-propanyl}ethanediamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-N'-{1-[4-(4-fluorophényl)-1-pipérazinyl]-1-(2-thiényl)-2-propanyl}éthanediamide [French] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-N'-{1-[4-(4-fluorphenyl)-1-piperazinyl]-1-(2-thienyl)-2-propanyl}ethandiamid [German] [ACD/IUPAC Name]
N1-(benzo[d][1,3]dioxol-5-ylmethyl)-N2-(1-(4-(4-fluorophenyl)piperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)oxalamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 138.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 26.42
ACD/KOC (pH 5.5): 234.40
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 117.26
ACD/KOC (pH 7.4): 1040.19
Polar Surface Area: 111 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 392.2±3.0 cm3

Click to predict properties on the Chemicalize site


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