ChemSpider 2D Image | (2E)-N-({3'-[(Cyclopentylamino)methyl]-4-biphenylyl}methyl)-N-[3-(4-methyl-1-piperazinyl)propyl]-3-phenylacrylamide | C36H46N4O

(2E)-N-({3'-[(Cyclopentylamino)methyl]-4-biphenylyl}methyl)-N-[3-(4-methyl-1-piperazinyl)propyl]-3-phenylacrylamide

  • Molecular FormulaC36H46N4O
  • Average mass550.777 Da
  • Monoisotopic mass550.367188 Da
  • ChemSpider ID25067273

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-({3'-[(Cyclopentylamino)methyl]-4-biphenylyl}methyl)-N-[3-(4-methyl-1-piperazinyl)propyl]-3-phenylacrylamid [German] [ACD/IUPAC Name]
(2E)-N-({3'-[(Cyclopentylamino)methyl]-4-biphenylyl}methyl)-N-[3-(4-methyl-1-piperazinyl)propyl]-3-phenylacrylamide [ACD/IUPAC Name]
(2E)-N-({3'-[(Cyclopentylamino)méthyl]-4-biphénylyl}méthyl)-N-[3-(4-méthyl-1-pipérazinyl)propyl]-3-phénylacrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[[3'-[(cyclopentylamino)methyl][1,1'-biphenyl]-4-yl]methyl]-N-[3-(4-methyl-1-piperazinyl)propyl]-3-phenyl-, (2E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 740.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.5±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 170.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.03
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 6.28
ACD/KOC (pH 7.4): 21.06
Polar Surface Area: 39 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 479.8±5.0 cm3

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