ChemSpider 2D Image | Ethyl 2-({[4-(2,5-dimethoxybenzyl)-1-piperazinyl]acetyl}amino)-4-(5-methyl-2-furyl)-3-thiophenecarboxylate | C27H33N3O6S

Ethyl 2-({[4-(2,5-dimethoxybenzyl)-1-piperazinyl]acetyl}amino)-4-(5-methyl-2-furyl)-3-thiophenecarboxylate

  • Molecular FormulaC27H33N3O6S
  • Average mass527.632 Da
  • Monoisotopic mass527.208984 Da
  • ChemSpider ID10963066

More details:

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

2-({2-[4-(2,5-Diméthoxybenzyl)-1-pipérazinyl]acétyl}amino)-4-(5-méthyl-2-furyl)-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[[2-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]acetyl]amino]-4-(5-methyl-2-furanyl)-, ethyl ester [ACD/Index Name]
Ethyl 2-({[4-(2,5-dimethoxybenzyl)-1-piperazinyl]acetyl}amino)-4-(5-methyl-2-furyl)-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-2-({[4-(2,5-dimethoxybenzyl)-1-piperazinyl]acetyl}amino)-4-(5-methyl-2-furyl)-3-thiophencarboxylat [German] [ACD/IUPAC 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: 673.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 361.0±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 143.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 88.82
ACD/KOC (pH 5.5): 492.85
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 592.93
ACD/KOC (pH 7.4): 3290.03
Polar Surface Area: 122 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 421.7±3.0 cm3

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