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

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

  • Molecular FormulaC33H33N3O5S2
  • Average mass615.762 Da
  • Monoisotopic mass615.186157 Da
  • ChemSpider ID12276420

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-(4-propoxyphenyl)-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-(4-propoxyphenyl)-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-(4-propoxyphényl)-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-(4-propoxyphenyl)- [ACD/Index Name]
1-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-4-(4-butoxybenzoyl)-3-hydroxy-5-(4-propoxyphenyl)-1H-pyrrol-2(5H)-one
1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(4-butoxybenzoyl)-3-hydroxy-5-(4-propoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[(4-butoxyphenyl)carbonyl]-3-hydroxy-5-(4-propoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
4-[(4-butoxyphenyl)carbonyl]-3-hydroxy-1-[5-(phenylmethylthio)(1,3,4-thiadiazol-2-yl)]-5-(4-propoxyphenyl)-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: 764.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.8±3.0 kJ/mol
Flash Point: 416.1±35.7 °C
Index of Refraction: 1.673
Molar Refractivity: 169.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.63
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 1595.77
ACD/KOC (pH 5.5): 3457.00
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 27.53
ACD/KOC (pH 7.4): 59.63
Polar Surface Area: 155 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 71.3±5.0 dyne/cm
Molar Volume: 451.6±5.0 cm3

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