ChemSpider 2D Image | (2E)-N-[2-(3-{[4-(3-Chlorophenyl)-1-piperazinyl]methyl}phenoxy)propyl]-3-(2-thienyl)acrylamide | C27H30ClN3O2S

(2E)-N-[2-(3-{[4-(3-Chlorophenyl)-1-piperazinyl]methyl}phenoxy)propyl]-3-(2-thienyl)acrylamide

  • Molecular FormulaC27H30ClN3O2S
  • Average mass496.064 Da
  • Monoisotopic mass495.174713 Da
  • ChemSpider ID23037250

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-[2-(3-{[4-(3-Chlorophenyl)-1-piperazinyl]methyl}phenoxy)propyl]-3-(2-thienyl)acrylamide [ACD/IUPAC Name]
(2E)-N-[2-(3-{[4-(3-Chlorophényl)-1-pipérazinyl]méthyl}phénoxy)propyl]-3-(2-thiényl)acrylamide [French] [ACD/IUPAC Name]
(2E)-N-[2-(3-{[4-(3-Chlorphenyl)-1-piperazinyl]methyl}phenoxy)propyl]-3-(2-thienyl)acrylamid [German] [ACD/IUPAC Name]
2-Propenamide, N-[2-[3-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]phenoxy]propyl]-3-(2-thienyl)-, (2E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 703.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.5±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 142.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 894.53
ACD/KOC (pH 5.5): 3127.47
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3143.54
ACD/KOC (pH 7.4): 10990.48
Polar Surface Area: 73 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 397.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement