ChemSpider 2D Image | 1-[2-(Diethylamino)ethyl]-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-5-[4-(hexyloxy)-3-methoxyphenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one | C29H41N3O5S

1-[2-(Diethylamino)ethyl]-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-5-[4-(hexyloxy)-3-methoxyphenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC29H41N3O5S
  • Average mass543.718 Da
  • Monoisotopic mass543.276672 Da
  • ChemSpider ID3922696

More details:

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

1-[2-(Diethylamino)ethyl]-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-5-[4-(hexyloxy)-3-methoxyphenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-[2-(Diethylamino)ethyl]-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-5-[4-(hexyloxy)-3-methoxyphenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-[2-(Diéthylamino)éthyl]-4-[(2,4-diméthyl-1,3-thiazol-5-yl)carbonyl]-5-[4-(hexyloxy)-3-méthoxyphényl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-[2-(diethylamino)ethyl]-4-[(2,4-dimethyl-5-thiazolyl)carbonyl]-5-[4-(hexyloxy)-3-methoxyphenyl]-1,5-dihydro-3-hydroxy- [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: 685.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 368.2±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 151.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 4.77
ACD/KOC (pH 5.5): 20.34
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 5.10
ACD/KOC (pH 7.4): 21.75
Polar Surface Area: 120 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 460.4±3.0 cm3

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