ChemSpider 2D Image | 3-Hydroxy-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-4-{4-[(3-methylbenzyl)oxy]benzoyl}-1-{5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one | C44H41N3O6S2

3-Hydroxy-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-4-{4-[(3-methylbenzyl)oxy]benzoyl}-1-{5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC44H41N3O6S2
  • Average mass771.943 Da
  • Monoisotopic mass771.243652 Da
  • ChemSpider ID11892337

More details:

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

2H-Pyrrol-2-one, 1,5-dihydro-3-hydroxy-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-4-[4-[(3-methylphenyl)methoxy]benzoyl]-1-[5-[(1-naphthalenylmethyl)thio]-1,3,4-thiadiazol-2-yl]- [ACD/Index Name]
3-Hydroxy-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-4-{4-[(3-methylbenzyl)oxy]benzoyl}-1-{5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
3-Hydroxy-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-4-{4-[(3-methylbenzyl)oxy]benzoyl}-1-{5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
3-Hydroxy-5-[3-méthoxy-4-(3-méthylbutoxy)phényl]-4-{4-[(3-méthylbenzyl)oxy]benzoyl}-1-{5-[(1-naphtylméthyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one [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: 889.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.5±3.0 kJ/mol
Flash Point: 492.0±37.1 °C
Index of Refraction: 1.701
Molar Refractivity: 217.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 11.08
ACD/LogD (pH 5.5): 7.66
ACD/BCF (pH 5.5): 220849.63
ACD/KOC (pH 5.5): 117840.43
ACD/LogD (pH 7.4): 5.90
ACD/BCF (pH 7.4): 3809.74
ACD/KOC (pH 7.4): 2032.79
Polar Surface Area: 165 Å2
Polarizability: 86.4±0.5 10-24cm3
Surface Tension: 72.8±5.0 dyne/cm
Molar Volume: 563.3±5.0 cm3

Click to predict properties on the Chemicalize site


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