ChemSpider 2D Image | Ethyl (5Z)-5-[(2Z)-2-{[2-(methylamino)phenyl]imino}-2-phenylethylidene]-4-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate | C26H23N5O4S

Ethyl (5Z)-5-[(2Z)-2-{[2-(methylamino)phenyl]imino}-2-phenylethylidene]-4-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate

  • Molecular FormulaC26H23N5O4S
  • Average mass501.557 Da
  • Monoisotopic mass501.147064 Da
  • ChemSpider ID21181746

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-5-[(2Z)-2-{[2-(Méthylamino)phényl]imino}-2-phényléthylidène]-4-(4-nitrophényl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1,3,4-Thiadiazole-2-carboxylic acid, 4,5-dihydro-5-[(2Z)-2-[[2-(methylamino)phenyl]imino]-2-phenylethylidene]-4-(4-nitrophenyl)-, ethyl ester, (5Z)- [ACD/Index Name]
Ethyl (5Z)-5-[(2Z)-2-{[2-(methylamino)phenyl]imino}-2-phenylethylidene]-4-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate [ACD/IUPAC Name]
Ethyl-(5Z)-5-[(2Z)-2-{[2-(methylamino)phenyl]imino}-2-phenylethyliden]-4-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-carboxylat [German] [ACD/IUPAC 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: 640.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.4±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 140.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4118.23
ACD/KOC (pH 5.5): 11035.12
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8176.90
ACD/KOC (pH 7.4): 21910.65
Polar Surface Area: 137 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 383.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement