ChemSpider 2D Image | 2-{2-Ethoxy-4-[4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-1-(4-sulfamoylbenzyl)-2,5-dihydro-1H-pyrrol-2-yl]phenoxy}-N,N-diethylacetamide | C33H37N3O9S

2-{2-Ethoxy-4-[4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-1-(4-sulfamoylbenzyl)-2,5-dihydro-1H-pyrrol-2-yl]phenoxy}-N,N-diethylacetamide

  • Molecular FormulaC33H37N3O9S
  • Average mass651.727 Da
  • Monoisotopic mass651.225037 Da
  • ChemSpider ID117977601

More details:

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

2-{2-Ethoxy-4-[4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-1-(4-sulfamoylbenzyl)-2,5-dihydro-1H-pyrrol-2-yl]phenoxy}-N,N-diethylacetamid [German] [ACD/IUPAC Name]
2-{2-Ethoxy-4-[4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-1-(4-sulfamoylbenzyl)-2,5-dihydro-1H-pyrrol-2-yl]phenoxy}-N,N-diethylacetamide [ACD/IUPAC Name]
2-{2-Éthoxy-4-[4-hydroxy-3-(4-méthoxybenzoyl)-5-oxo-1-(4-sulfamoylbenzyl)-2,5-dihydro-1H-pyrrol-2-yl]phénoxy}-N,N-diéthylacétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[4-[1-[[4-(aminosulfonyl)phenyl]methyl]-2,5-dihydro-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-1H-pyrrol-2-yl]-2-ethoxyphenoxy]-N,N-diethyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 871.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.7±3.0 kJ/mol
Flash Point: 480.8±37.1 °C
Index of Refraction: 1.618
Molar Refractivity: 170.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 1.94
ACD/KOC (pH 5.5): 28.28
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 486.4±3.0 cm3

Click to predict properties on the Chemicalize site


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