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Search term: IVIXHVQDBNRVNS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-[4-(Benzyloxy)-3-methoxyphenyl]-1-[3-(dimethylamino)propyl]-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylene)-2,3-pyrrolidinedione | C38H40N2O6

5-[4-(Benzyloxy)-3-methoxyphenyl]-1-[3-(dimethylamino)propyl]-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylene)-2,3-pyrrolidinedione

  • Molecular FormulaC38H40N2O6
  • Average mass620.734 Da
  • Monoisotopic mass620.288635 Da
  • ChemSpider ID3885996

More details:

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

2,3-Pyrrolidinedione, 1-[3-(dimethylamino)propyl]-4-[hydroxy[4-[(3-methylphenyl)methoxy]phenyl]methylene]-5-[3-methoxy-4-(phenylmethoxy)phenyl]- [ACD/Index Name]
5-[4-(Benzyloxy)-3-methoxyphenyl]-1-[3-(dimethylamino)propyl]-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylen)-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
5-[4-(Benzyloxy)-3-methoxyphenyl]-1-[3-(dimethylamino)propyl]-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylene)-2,3-pyrrolidinedione [ACD/IUPAC Name]
5-[4-(Benzyloxy)-3-méthoxyphényl]-1-[3-(diméthylamino)propyl]-4-(hydroxy{4-[(3-méthylbenzyl)oxy]phényl}méthylène)-2,3-pyrrolidinedione [French] [ACD/IUPAC 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: 768.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.3±3.0 kJ/mol
Flash Point: 418.3±35.7 °C
Index of Refraction: 1.617
Molar Refractivity: 178.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.88
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 6.79
ACD/KOC (pH 5.5): 19.15
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 89.37
ACD/KOC (pH 7.4): 252.14
Polar Surface Area: 89 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 509.6±3.0 cm3

Click to predict properties on the Chemicalize site


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