ChemSpider 2D Image | Ethyl (5Z)-5-{(2Z)-2-[(2-aminophenyl)imino]-2-phenylethylidene}-4-(4-chlorophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate | C25H21ClN4O2S

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

  • Molecular FormulaC25H21ClN4O2S
  • Average mass476.978 Da
  • Monoisotopic mass476.107361 Da
  • ChemSpider ID21181747

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-5-{(2Z)-2-[(2-Aminophényl)imino]-2-phényléthylidène}-4-(4-chlorophényl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1,3,4-Thiadiazole-2-carboxylic acid, 5-[(2Z)-2-[(2-aminophenyl)imino]-2-phenylethylidene]-4-(4-chlorophenyl)-4,5-dihydro-, ethyl ester, (5Z)- [ACD/Index Name]
Ethyl (5Z)-5-{(2Z)-2-[(2-aminophenyl)imino]-2-phenylethylidene}-4-(4-chlorophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate [ACD/IUPAC Name]
Ethyl-(5Z)-5-{(2Z)-2-[(2-aminophenyl)imino]-2-phenylethyliden}-4-(4-chlorphenyl)-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: 597.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 315.3±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 134.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 8035.62
ACD/KOC (pH 5.5): 21716.01
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 8037.11
ACD/KOC (pH 7.4): 21720.04
Polar Surface Area: 106 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 364.3±7.0 cm3

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