ChemSpider 2D Image | 1-(1-Benzyl-4-piperidinyl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-4-(5,6,7,8-tetrahydro-2-naphthalenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one | C40H48N2O5

1-(1-Benzyl-4-piperidinyl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-4-(5,6,7,8-tetrahydro-2-naphthalenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC40H48N2O5
  • Average mass636.820 Da
  • Monoisotopic mass636.356323 Da
  • ChemSpider ID117887972

More details:

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

1-(1-Benzyl-4-pipéridinyl)-5-[3-éthoxy-4-(pentyloxy)phényl]-3-hydroxy-4-(5,6,7,8-tétrahydro-2-naphtalénylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
1-(1-Benzyl-4-piperidinyl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-4-(5,6,7,8-tetrahydro-2-naphthalenylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-(1-Benzyl-4-piperidinyl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-4-(5,6,7,8-tetrahydro-2-naphthalinylcarbonyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 5-[3-ethoxy-4-(pentyloxy)phenyl]-1,5-dihydro-3-hydroxy-1-[1-(phenylmethyl)-4-piperidinyl]-4-[(5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl]- [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: 781.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.2±3.0 kJ/mol
Flash Point: 426.3±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 184.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.81
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 755.13
ACD/KOC (pH 5.5): 781.63
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 671.75
ACD/KOC (pH 7.4): 695.32
Polar Surface Area: 79 Å2
Polarizability: 73.2±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 530.6±3.0 cm3

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