ChemSpider 2D Image | Diethyl 5-{[(3-{[(5-bromo-2-thienyl)acetyl]amino}phenoxy)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate | C25H25BrN2O7S2

Diethyl 5-{[(3-{[(5-bromo-2-thienyl)acetyl]amino}phenoxy)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate

  • Molecular FormulaC25H25BrN2O7S2
  • Average mass609.509 Da
  • Monoisotopic mass608.028625 Da
  • ChemSpider ID67134984

More details:

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

2,4-Thiophenedicarboxylic acid, 5-[[2-[3-[[2-(5-bromo-2-thienyl)acetyl]amino]phenoxy]acetyl]amino]-3-methyl-, diethyl ester [ACD/Index Name]
5-{[2-(3-{[2-(5-Bromo-2-thiényl)acétyl]amino}phénoxy)acétyl]amino}-3-méthyl-2,4-thiophènedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 5-{[(3-{[(5-bromo-2-thienyl)acetyl]amino}phenoxy)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
Diethyl-5-{[(3-{[(5-brom-2-thienyl)acetyl]amino}phenoxy)acetyl]amino}-3-methyl-2,4-thiophendicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 795.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 435.0±32.9 °C
Index of Refraction: 1.650
Molar Refractivity: 147.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10866.24
ACD/KOC (pH 5.5): 26953.46
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10865.97
ACD/KOC (pH 7.4): 26952.78
Polar Surface Area: 177 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 404.9±3.0 cm3

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