Found 1095 results

Search term: MF = 'C_{26}H_{40}N_{4}O_{3}'
ChemSpider 2D Image | 5-{[(3-{2-[4-(Cyclohexylcarbonyl)-1-piperazinyl]ethoxy}benzyl)(methyl)amino]methyl}-2-pyrrolidinone | C26H40N4O3

5-{[(3-{2-[4-(Cyclohexylcarbonyl)-1-piperazinyl]ethoxy}benzyl)(methyl)amino]methyl}-2-pyrrolidinone

  • Molecular FormulaC26H40N4O3
  • Average mass456.621 Da
  • Monoisotopic mass456.310028 Da
  • ChemSpider ID22152678

More details:

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

2-Pyrrolidinone, 5-[[[[3-[2-[4-(cyclohexylcarbonyl)-1-piperazinyl]ethoxy]phenyl]methyl]methylamino]methyl]- [ACD/Index Name]
5-{[(3-{2-[4-(Cyclohexylcarbonyl)-1-piperazinyl]ethoxy}benzyl)(methyl)amino]methyl}-2-pyrrolidinon [German] [ACD/IUPAC Name]
5-{[(3-{2-[4-(Cyclohexylcarbonyl)-1-piperazinyl]ethoxy}benzyl)(methyl)amino]methyl}-2-pyrrolidinone [ACD/IUPAC Name]
5-{[(3-{2-[4-(Cyclohexylcarbonyl)-1-pipérazinyl]éthoxy}benzyl)(méthyl)amino]méthyl}-2-pyrrolidinone [French] [ACD/IUPAC Name]
5-{[({3-[2-(4-CYCLOHEXANECARBONYLPIPERAZIN-1-YL)ETHOXY]PHENYL}METHYL)(METHYL)AMINO]METHYL}PYRROLIDIN-2-ONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 668.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 358.0±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 129.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 4.84
ACD/KOC (pH 7.4): 74.76
Polar Surface Area: 65 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 402.1±3.0 cm3

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