ChemSpider 2D Image | 4-(Hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylene)-5-[3-methoxy-4-(pentyloxy)phenyl]-1-{5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-pyrrolidinedione | C44H41N3O6S2

4-(Hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylene)-5-[3-methoxy-4-(pentyloxy)phenyl]-1-{5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-pyrrolidinedione

  • Molecular FormulaC44H41N3O6S2
  • Average mass771.943 Da
  • Monoisotopic mass771.243652 Da
  • ChemSpider ID3885652

More details:

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

2,3-Pyrrolidinedione, 4-[hydroxy[4-[(3-methylphenyl)methoxy]phenyl]methylene]-5-[3-methoxy-4-(pentyloxy)phenyl]-1-[5-[(1-naphthalenylmethyl)thio]-1,3,4-thiadiazol-2-yl]- [ACD/Index Name]
4-(Hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylen)-5-[3-methoxy-4-(pentyloxy)phenyl]-1-{5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-pyrrolidindion [German] [ACD/IUPAC Name]
4-(Hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylene)-5-[3-methoxy-4-(pentyloxy)phenyl]-1-{5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-pyrrolidinedione [ACD/IUPAC Name]
4-(Hydroxy{4-[(3-méthylbenzyl)oxy]phényl}méthylène)-5-[3-méthoxy-4-(pentyloxy)phényl]-1-{5-[(1-naphtylméthyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2,3-pyrrolidinedione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 912.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.1±3.0 kJ/mol
Flash Point: 505.9±37.1 °C
Index of Refraction: 1.702
Molar Refractivity: 218.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 11.54
ACD/LogD (pH 5.5): 9.70
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4467553.00
ACD/LogD (pH 7.4): 9.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2315186.00
Polar Surface Area: 165 Å2
Polarizability: 86.4±0.5 10-24cm3
Surface Tension: 73.5±5.0 dyne/cm
Molar Volume: 562.7±5.0 cm3

Click to predict properties on the Chemicalize site


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