ChemSpider 2D Image | (2Z)-5-Amino-2-(4-ethoxy-3-methoxybenzylidene)-7-(4-ethoxy-3-methoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile | C28H26N4O5S

(2Z)-5-Amino-2-(4-ethoxy-3-methoxybenzylidene)-7-(4-ethoxy-3-methoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile

  • Molecular FormulaC28H26N4O5S
  • Average mass530.595 Da
  • Monoisotopic mass530.162415 Da
  • ChemSpider ID5008440

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-5-Amino-2-(4-ethoxy-3-methoxybenzyliden)-7-(4-ethoxy-3-methoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-6,8-dicarbonitril [German] [ACD/IUPAC Name]
(2Z)-5-Amino-2-(4-ethoxy-3-methoxybenzylidene)-7-(4-ethoxy-3-methoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile [ACD/IUPAC Name]
(2Z)-5-Amino-2-(4-éthoxy-3-méthoxybenzylidène)-7-(4-éthoxy-3-méthoxyphényl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile [French] [ACD/IUPAC Name]
7H-Thiazolo[3,2-a]pyridine-6,8-dicarbonitrile, 5-amino-7-(4-ethoxy-3-methoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methylene]-2,3-dihydro-3-oxo-, (2Z)- [ACD/Index Name]
5-amino-7-(4-ethoxy-3-methoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methylene]-3 -oxo-4,7-dihydro-1,3-thiazolidino[3,2-a]pyridine-6,8-dicarbonitrile
5-amino-7-(4-ethoxy-3-methoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methylene]-3-oxo-4,7-dihydro-1,3-thiazolidino[3,2-a]pyridine-6,8-dicarbonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point: 770.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 419.7±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 142.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 862.21
ACD/KOC (pH 5.5): 4393.33
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 863.03
ACD/KOC (pH 7.4): 4397.50
Polar Surface Area: 156 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 382.5±5.0 cm3

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