ChemSpider 2D Image | MFCD04441696 | C30H32N2O7S

MFCD04441696

  • Molecular FormulaC30H32N2O7S
  • Average mass564.649 Da
  • Monoisotopic mass564.192993 Da
  • ChemSpider ID11969226

More details:

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

2-[3-(4-Butoxybenzoyl)-4-hydroxy-5-oxo-2-(4-propoxyphényl)-2,5-dihydro-1H-pyrrol-1-yl]-4-méthyl-1,3-thiazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-[3-(4-butoxybenzoyl)-2,5-dihydro-4-hydroxy-5-oxo-2-(4-propoxyphenyl)-1H-pyrrol-1-yl]-4-methyl-, methyl ester [ACD/Index Name]
618071-74-2 [RN]
Methyl 2-[3-(4-butoxybenzoyl)-4-hydroxy-5-oxo-2-(4-propoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Methyl-2-[3-(4-butoxybenzoyl)-4-hydroxy-5-oxo-2-(4-propoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]
MFCD04441696
Methyl 2-(3-(4-butoxybenzoyl)-4-hydroxy-5-oxo-2-(4-propoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
methyl 2-{3-[(4-butoxyphenyl)carbonyl]-4-hydroxy-5-oxo-2-(4-propoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
methyl 2-{4-[(4-butoxyphenyl)carbonyl]-3-hydroxy-2-oxo-5-(4-propoxyphenyl)(3-pyrrolinyl)}-4-methyl-1,3-thiazole-5-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 700.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 377.7±35.7 °C
Index of Refraction: 1.613
Molar Refractivity: 151.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 365.65
ACD/KOC (pH 5.5): 1204.07
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 6.31
ACD/KOC (pH 7.4): 20.77
Polar Surface Area: 144 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 435.3±3.0 cm3

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