ChemSpider 2D Image | 1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(4-butoxy-3-methoxyphenyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one | C33H33N3O5S2

1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(4-butoxy-3-methoxyphenyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC33H33N3O5S2
  • Average mass615.762 Da
  • Monoisotopic mass615.186157 Da
  • ChemSpider ID11966648

More details:

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

1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(4-butoxy-3-methoxyphenyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(4-butoxy-3-methoxyphenyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(4-butoxy-3-méthoxyphényl)-4-(2,5-diméthylbenzoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 5-(4-butoxy-3-methoxyphenyl)-4-(2,5-dimethylbenzoyl)-1,5-dihydro-3-hydroxy-1-[5-[(phenylmethyl)thio]-1,3,4-thiadiazol-2-yl]- [ACD/Index 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: 761.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 414.2±35.7 °C
Index of Refraction: 1.675
Molar Refractivity: 169.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.14
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 4295.56
ACD/KOC (pH 5.5): 7023.02
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 74.10
ACD/KOC (pH 7.4): 121.15
Polar Surface Area: 155 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 450.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement