ChemSpider 2D Image | 5-{(E)-[3-(3-Ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-2-oxo-6-[(2-phenylethyl)amino]-1-propyl-1,2-dihydro-3-pyridinecarbonitrile | C27H32N4O3S2

5-{(E)-[3-(3-Ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-2-oxo-6-[(2-phenylethyl)amino]-1-propyl-1,2-dihydro-3-pyridinecarbonitrile

  • Molecular FormulaC27H32N4O3S2
  • Average mass524.698 Da
  • Monoisotopic mass524.191589 Da
  • ChemSpider ID11924337

  • Double-bond stereo - Double-bond stereo

More details:

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

3-Pyridinecarbonitrile, 5-[(E)-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-1,2-dihydro-4-methyl-2-oxo-6-[(2-phenylethyl)amino]-1-propyl- [ACD/Index Name]
5-{(E)-[3-(3-Ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-yliden]methyl}-4-methyl-2-oxo-6-[(2-phenylethyl)amino]-1-propyl-1,2-dihydro-3-pyridincarbonitril [German] [ACD/IUPAC Name]
5-{(E)-[3-(3-Ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-2-oxo-6-[(2-phenylethyl)amino]-1-propyl-1,2-dihydro-3-pyridinecarbonitrile [ACD/IUPAC Name]
5-{(E)-[3-(3-Éthoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidène]méthyl}-4-méthyl-2-oxo-6-[(2-phényléthyl)amino]-1-propyl-1,2-dihydro-3-pyridinecarbonitrile [French] [ACD/IUPAC Name]
5-{(E)-[3-(3-Ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4-methyl-2-oxo-6-[(2-phenylethyl)amino]-1-propyl-1,2-dihydropyridine-3-carbonitrile

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

Density: 1.3±0.1 g/cm3
Boiling Point: 558.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.6±32.9 °C
Index of Refraction: 1.643
Molar Refractivity: 147.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 88.83
ACD/KOC (pH 5.5): 863.63
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 88.87
ACD/KOC (pH 7.4): 864.05
Polar Surface Area: 143 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 406.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement