Found 3 results

Search term: ILLJUBDFURODIY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ethyl (4S)-6-amino-5-cyano-2-{[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]methyl}-4-(2-methoxyphenyl)-4H-pyran-3-carboxylate | C26H26N4O4S

Ethyl (4S)-6-amino-5-cyano-2-{[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]methyl}-4-(2-methoxyphenyl)-4H-pyran-3-carboxylate

  • Molecular FormulaC26H26N4O4S
  • Average mass490.574 Da
  • Monoisotopic mass490.167480 Da
  • ChemSpider ID62471368

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-6-Amino-5-cyano-2-{[(3-cyano-6-éthyl-5-méthyl-2-pyridinyl)sulfanyl]méthyl}-4-(2-méthoxyphényl)-4H-pyrane-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
4H-Pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)thio]methyl]-4-(2-methoxyphenyl)-, ethyl ester, (4S)- [ACD/Index Name]
Ethyl (4S)-6-amino-5-cyano-2-{[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]methyl}-4-(2-methoxyphenyl)-4H-pyran-3-carboxylate [ACD/IUPAC Name]
Ethyl-(4S)-6-amino-5-cyan-2-{[(3-cyan-6-ethyl-5-methyl-2-pyridinyl)sulfanyl]methyl}-4-(2-methoxyphenyl)-4H-pyran-3-carboxylat [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: 699.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 377.0±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 132.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1105.43
ACD/KOC (pH 5.5): 5248.11
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1106.81
ACD/KOC (pH 7.4): 5254.67
Polar Surface Area: 157 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 66.1±5.0 dyne/cm
Molar Volume: 372.7±5.0 cm3

Click to predict properties on the Chemicalize site


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