ChemSpider 2D Image | 1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(4-butoxybenzoyl)-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one | C33H33N3O7S2

1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(4-butoxybenzoyl)-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC33H33N3O7S2
  • Average mass647.761 Da
  • Monoisotopic mass647.175964 Da
  • ChemSpider ID11969531

More details:

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

1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(4-butoxybenzoyl)-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(4-butoxybenzoyl)-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
1-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(4-butoxybenzoyl)-3-hydroxy-5-(3,4,5-triméthoxyphényl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 4-(4-butoxybenzoyl)-1,5-dihydro-3-hydroxy-1-[5-[(phenylmethyl)thio]-1,3,4-thiadiazol-2-yl]-5-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-4-(4-butoxybenzoyl)-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one
1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(4-butoxybenzoyl)-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[(4-butoxyphenyl)carbonyl]-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
4-[(4-butoxyphenyl)carbonyl]-3-hydroxy-1-[5-(phenylmethylthio)(1,3,4-thiadiazol-2-yl)]-5-(3,4,5-trimethoxyphenyl)-3-pyrrolin-2-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 775.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 422.9±35.7 °C
Index of Refraction: 1.670
Molar Refractivity: 172.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 388.09
ACD/KOC (pH 5.5): 1256.55
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 6.70
ACD/KOC (pH 7.4): 21.68
Polar Surface Area: 174 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 72.4±5.0 dyne/cm
Molar Volume: 462.5±5.0 cm3

Click to predict properties on the Chemicalize site


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