ChemSpider 2D Image | 5-(3,5-Di-tert-butyl-4-hydroxyphenyl)-1-[2-(diethylamino)ethyl]-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one | C30H43N3O4S

5-(3,5-Di-tert-butyl-4-hydroxyphenyl)-1-[2-(diethylamino)ethyl]-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC30H43N3O4S
  • Average mass541.745 Da
  • Monoisotopic mass541.297424 Da
  • ChemSpider ID3922687

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]-3-hydroxy-5-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-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]-3-hydroxy-5-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-[2-(Diéthylamino)éthyl]-4-[(2,4-diméthyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-5-[4-hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 5-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-[2-(diethylamino)ethyl]-4-[(2,4-dimethyl-5-thiazolyl)carbonyl]-1,5-dihydro-3-hydroxy- [ACD/Index Name]
5-(3,5-Di-tert-butyl-4-hydroxyphenyl)-1-[2-(diethylamino)ethyl]-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 642.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 342.1±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 153.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 12.99
ACD/KOC (pH 5.5): 41.65
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 13.88
ACD/KOC (pH 7.4): 44.52
Polar Surface Area: 122 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 461.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement