ChemSpider 2D Image | Ethyl 2-{[(benzyloxy)acetyl]amino}-5-(4,4-dimethyl-2-pentanyl)-3-thiophenecarboxylate | C23H31NO4S

Ethyl 2-{[(benzyloxy)acetyl]amino}-5-(4,4-dimethyl-2-pentanyl)-3-thiophenecarboxylate

  • Molecular FormulaC23H31NO4S
  • Average mass417.561 Da
  • Monoisotopic mass417.197388 Da
  • ChemSpider ID22749765

More details:

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

2-{[2-(Benzyloxy)acétyl]amino}-5-(4,4-diméthyl-2-pentanyl)-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[[2-(phenylmethoxy)acetyl]amino]-5-(1,3,3-trimethylbutyl)-, ethyl ester [ACD/Index Name]
Ethyl 2-{[(benzyloxy)acetyl]amino}-5-(4,4-dimethyl-2-pentanyl)-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-2-{[(benzyloxy)acetyl]amino}-5-(4,4-dimethyl-2-pentanyl)-3-thiophencarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 559.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.9±30.1 °C
Index of Refraction: 1.563
Molar Refractivity: 118.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 7.31
ACD/LogD (pH 5.5): 6.07
ACD/BCF (pH 5.5): 24239.11
ACD/KOC (pH 5.5): 47865.51
ACD/LogD (pH 7.4): 6.07
ACD/BCF (pH 7.4): 24239.01
ACD/KOC (pH 7.4): 47865.30
Polar Surface Area: 93 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 366.1±3.0 cm3

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