Found 1 result

Search term: MDESESAVHSLEHL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-Ethyl-5-[(E)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-6-[(4-methoxybenzyl)amino]-4-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile | C27H32N4O3S2

1-Ethyl-5-[(E)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-6-[(4-methoxybenzyl)amino]-4-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

  • Molecular FormulaC27H32N4O3S2
  • Average mass524.698 Da
  • Monoisotopic mass524.191589 Da
  • ChemSpider ID11923937

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Ethyl-5-[(E)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden)methyl]-6-[(4-methoxybenzyl)amino]-4-methyl-2-oxo-1,2-dihydro-3-pyridincarbonitril [German] [ACD/IUPAC Name]
1-Ethyl-5-[(E)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-6-[(4-methoxybenzyl)amino]-4-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile [ACD/IUPAC Name]
1-Éthyl-5-[(E)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène)méthyl]-6-[(4-méthoxybenzyl)amino]-4-méthyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile [French] [ACD/IUPAC Name]
1-Ethyl-5-[(E)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-6-[(4-methoxybenzyl)amino]-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
3-Pyridinecarbonitrile, 1-ethyl-5-[(E)-(3-hexyl-4-oxo-2-thioxo-5-thiazolidinylidene)methyl]-1,2-dihydro-6-[[(4-methoxyphenyl)methyl]amino]-4-methyl-2-oxo- [ACD/Index 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: 557.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 290.9±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 147.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 581.50
ACD/KOC (pH 5.5): 3314.74
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 581.58
ACD/KOC (pH 7.4): 3315.20
Polar Surface Area: 143 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 405.9±5.0 cm3

Click to predict properties on the Chemicalize site


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