ChemSpider 2D Image | 3-Hydroxy-4-(4-methoxybenzoyl)-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-(3-methylbutoxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one | C33H33N3O5S2

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

  • Molecular FormulaC33H33N3O5S2
  • Average mass615.762 Da
  • Monoisotopic mass615.186157 Da
  • ChemSpider ID12220487

More details:

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

2H-Pyrrol-2-one, 1,5-dihydro-3-hydroxy-4-(4-methoxybenzoyl)-5-[3-(3-methylbutoxy)phenyl]-1-[5-[[(4-methylphenyl)methyl]thio]-1,3,4-thiadiazol-2-yl]- [ACD/Index Name]
3-Hydroxy-4-(4-methoxybenzoyl)-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-(3-methylbutoxy)phenyl]-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
3-Hydroxy-4-(4-methoxybenzoyl)-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-(3-methylbutoxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
3-Hydroxy-4-(4-méthoxybenzoyl)-1-{5-[(4-méthylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-(3-méthylbutoxy)phényl]-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: 759.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 413.1±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: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.38
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 3375.28
ACD/KOC (pH 5.5): 5909.81
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 58.22
ACD/KOC (pH 7.4): 101.95
Polar Surface Area: 155 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 451.7±5.0 cm3

Click to predict properties on the Chemicalize site


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