ChemSpider 2D Image | MFCD04441417 | C28H31N3O4S

MFCD04441417

  • Molecular FormulaC28H31N3O4S
  • Average mass505.628 Da
  • Monoisotopic mass505.203522 Da
  • ChemSpider ID11968972

More details:

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

2H-Pyrrol-2-one, 4-(4-butoxybenzoyl)-5-[4-(1,1-dimethylethyl)phenyl]-1,5-dihydro-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)- [ACD/Index Name]
4-(4-Butoxybenzoyl)-3-hydroxy-5-[4-(2-methyl-2-propanyl)phenyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(4-Butoxybenzoyl)-3-hydroxy-5-[4-(2-methyl-2-propanyl)phenyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(4-Butoxybenzoyl)-3-hydroxy-5-[4-(2-méthyl-2-propanyl)phényl]-1-(5-méthyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
4-(4-Butoxybenzoyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
617695-20-2 [RN]
MFCD04441417
4-(4-Butoxybenzoyl)-5-(4-(tert-butyl)phenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one
4-(4-butoxybenzoyl)-5-(4-tert-butylphenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one
4-[(4-butoxyphenyl)carbonyl]-5-(4-tert-butylphenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 655.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 349.9±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 140.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 562.27
ACD/KOC (pH 5.5): 1638.40
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 9.70
ACD/KOC (pH 7.4): 28.26
Polar Surface Area: 121 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 400.3±3.0 cm3

Click to predict properties on the Chemicalize site


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