ChemSpider 2D Image | 1-Butyl-5-[(E)-(3-isobutyl-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-Butyl-5-[(E)-(3-isobutyl-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 ID11924737

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Butyl-5-[(E)-(3-isobutyl-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-Butyl-5-[(E)-(3-isobutyl-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-Butyl-5-[(E)-(3-isobutyl-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-Butyl-5-[(E)-(3-isobutyl-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-butyl-1,2-dihydro-6-[[(4-methoxyphenyl)methyl]amino]-4-methyl-5-[(E)-[3-(2-methylpropyl)-4-oxo-2-thioxo-5-thiazolidinylidene]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: 553.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.6±32.9 °C
Index of Refraction: 1.643
Molar Refractivity: 146.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 174.83
ACD/KOC (pH 5.5): 1402.36
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 174.86
ACD/KOC (pH 7.4): 1402.56
Polar Surface Area: 143 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 406.5±5.0 cm3

Click to predict properties on the Chemicalize site


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