ChemSpider 2D Image | 3-[4-(2-{[(4,4-Dimethyl-2,6-dioxocyclohexylidene)methyl]amino}ethyl)-1-piperazinyl]-1-[4-(hexyloxy)phenyl]-2,5-pyrrolidinedione | C31H44N4O5

3-[4-(2-{[(4,4-Dimethyl-2,6-dioxocyclohexylidene)methyl]amino}ethyl)-1-piperazinyl]-1-[4-(hexyloxy)phenyl]-2,5-pyrrolidinedione

  • Molecular FormulaC31H44N4O5
  • Average mass552.705 Da
  • Monoisotopic mass552.331177 Da
  • ChemSpider ID2366105

More details:

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

2,5-Pyrrolidinedione, 3-[4-[2-[[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino]ethyl]-1-piperazinyl]-1-[4-(hexyloxy)phenyl]- [ACD/Index Name]
3-[4-(2-{[(4,4-Dimethyl-2,6-dioxocyclohexyliden)methyl]amino}ethyl)-1-piperazinyl]-1-[4-(hexyloxy)phenyl]-2,5-pyrrolidindion [German] [ACD/IUPAC Name]
3-[4-(2-{[(4,4-Dimethyl-2,6-dioxocyclohexylidene)methyl]amino}ethyl)-1-piperazinyl]-1-[4-(hexyloxy)phenyl]-2,5-pyrrolidinedione [ACD/IUPAC Name]
3-[4-(2-{[(4,4-Diméthyl-2,6-dioxocyclohexylidène)méthyl]amino}éthyl)-1-pipérazinyl]-1-[4-(hexyloxy)phényl]-2,5-pyrrolidinedione [French] [ACD/IUPAC Name]
3-[4-(2-{[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino}ethyl)piperazin-1-yl]-1-[4-(hexyloxy)phenyl]pyrrolidine-2,5-dione

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

BAS 00584060 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 755.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 410.6±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 154.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 2.39
ACD/KOC (pH 5.5): 18.97
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 90.75
ACD/KOC (pH 7.4): 719.88
Polar Surface Area: 99 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 462.1±3.0 cm3

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