ChemSpider 2D Image | Ethyl 2-{[11-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)undecanoyl]amino}-4-methyl-5-(phenylcarbamoyl)-3-thiophenecarboxylate | C34H39N3O6S

Ethyl 2-{[11-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)undecanoyl]amino}-4-methyl-5-(phenylcarbamoyl)-3-thiophenecarboxylate

  • Molecular FormulaC34H39N3O6S
  • Average mass617.755 Da
  • Monoisotopic mass617.255981 Da
  • ChemSpider ID2585533

More details:






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

2-{[11-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)undecanoyl]amino}-4-méthyl-5-(phénylcarbamoyl)-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-[[11-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-oxoundecyl]amino]-4-methyl-5-[(phenylamino)carbonyl]-, ethyl ester [ACD/Index Name]
Ethyl 2-{[11-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)undecanoyl]amino}-4-methyl-5-(phenylcarbamoyl)-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-2-{[11-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)undecanoyl]amino}-4-methyl-5-(phenylcarbamoyl)-3-thiophencarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 738.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.4±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 172.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 8.63
ACD/LogD (pH 5.5): 7.25
ACD/BCF (pH 5.5): 190162.23
ACD/KOC (pH 5.5): 209108.94
ACD/LogD (pH 7.4): 7.25
ACD/BCF (pH 7.4): 190157.22
ACD/KOC (pH 7.4): 209103.42
Polar Surface Area: 150 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 488.7±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement