ChemSpider 2D Image | 1-Butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-methyl-2-oxo-5-[(E)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydro-3-pyridinecarbonitrile | C30H38N4O4S2

1-Butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-methyl-2-oxo-5-[(E)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydro-3-pyridinecarbonitrile

  • Molecular FormulaC30H38N4O4S2
  • Average mass582.777 Da
  • Monoisotopic mass582.233459 Da
  • ChemSpider ID11924619

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-methyl-2-oxo-5-[(E)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-yliden)methyl]-1,2-dihydro-3-pyridincarbonitril [German] [ACD/IUPAC Name]
1-Butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-methyl-2-oxo-5-[(E)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydro-3-pyridinecarbonitrile [ACD/IUPAC Name]
1-Butyl-6-{[2-(3,4-diméthoxyphényl)éthyl]amino}-4-méthyl-2-oxo-5-[(E)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidène)méthyl]-1,2-dihydro-3-pyridinecarbonitrile [French] [ACD/IUPAC Name]
1-Butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-methyl-2-oxo-5-[(E)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile
3-Pyridinecarbonitrile, 1-butyl-6-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-1,2-dihydro-4-methyl-2-oxo-5-[(E)-(4-oxo-3-pentyl-2-thioxo-5-thiazolidinylidene)methyl]- [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: 599.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.5±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 162.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1310.08
ACD/KOC (pH 5.5): 5927.80
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1310.78
ACD/KOC (pH 7.4): 5930.98
Polar Surface Area: 152 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 459.6±5.0 cm3

Click to predict properties on the Chemicalize site


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