ChemSpider 2D Image | 1-Butyl-6-(3,5-dimethyl-1-piperidinyl)-5-{[3-(2-furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile | C27H32N4O3S2

1-Butyl-6-(3,5-dimethyl-1-piperidinyl)-5-{[3-(2-furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile

  • Molecular FormulaC27H32N4O3S2
  • Average mass524.698 Da
  • Monoisotopic mass524.191589 Da
  • ChemSpider ID4431704

More details:

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

1-Butyl-6-(3,5-dimethyl-1-piperidinyl)-5-{[3-(2-furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden]methyl}-4-methyl-2-oxo-1,2-dihydro-3-pyridincarbonitril [German] [ACD/IUPAC Name]
1-Butyl-6-(3,5-dimethyl-1-piperidinyl)-5-{[3-(2-furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile [ACD/IUPAC Name]
1-Butyl-6-(3,5-diméthyl-1-pipéridinyl)-5-{[3-(2-furylméthyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène]méthyl}-4-méthyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile [French] [ACD/IUPAC Name]
3-Pyridinecarbonitrile, 1-butyl-6-(3,5-dimethyl-1-piperidinyl)-5-[[3-(2-furanylmethyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-1,2-dihydro-4-methyl-2-oxo- [ACD/Index Name]
1-Butyl-6-(3,5-dimethylpiperidin-1-yl)-5-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
7064-98-4 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 535.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.8±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 145.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 214.99
ACD/KOC (pH 5.5): 1623.23
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 216.31
ACD/KOC (pH 7.4): 1633.22
Polar Surface Area: 138 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 396.4±5.0 cm3

Click to predict properties on the Chemicalize site


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