ChemSpider 2D Image | 1-[3-(Diethylamino)propyl]-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one | C29H41N3O5S

1-[3-(Diethylamino)propyl]-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC29H41N3O5S
  • Average mass543.718 Da
  • Monoisotopic mass543.276672 Da
  • ChemSpider ID3923077

More details:

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

1-[3-(Diethylamino)propyl]-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-[3-(Diethylamino)propyl]-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-[3-(Diéthylamino)propyl]-4-[(2,4-diméthyl-1,3-thiazol-5-yl)carbonyl]-3-hydroxy-5-[3-méthoxy-4-(pentyloxy)phényl]-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 1-[3-(diethylamino)propyl]-4-[(2,4-dimethyl-5-thiazolyl)carbonyl]-1,5-dihydro-3-hydroxy-5-[3-methoxy-4-(pentyloxy)phenyl]- [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: 687.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 369.8±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: 5.35
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 3.73
ACD/KOC (pH 5.5): 17.03
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 3.99
ACD/KOC (pH 7.4): 18.25
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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