ChemSpider 2D Image | 4-[(E)-{[5-(4-Chlorophenyl)-2-furyl]methylene}amino]-5-{[(2-methoxybenzyl)amino]methyl}-2-(4-morpholinylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione | C27H29ClN6O3S

4-[(E)-{[5-(4-Chlorophenyl)-2-furyl]methylene}amino]-5-{[(2-methoxybenzyl)amino]methyl}-2-(4-morpholinylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

  • Molecular FormulaC27H29ClN6O3S
  • Average mass553.076 Da
  • Monoisotopic mass552.171021 Da
  • ChemSpider ID8658162

  • Double-bond stereo - Double-bond stereo

More details:

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

3H-1,2,4-Triazole-3-thione, 4-[[(1E)-[5-(4-chlorophenyl)-2-furanyl]methylene]amino]-2,4-dihydro-5-[[[(2-methoxyphenyl)methyl]amino]methyl]-2-(4-morpholinylmethyl)- [ACD/Index Name]
4-[(E)-{[5-(4-Chlorophenyl)-2-furyl]methylene}amino]-5-{[(2-methoxybenzyl)amino]methyl}-2-(4-morpholinylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-[(E)-{[5-(4-Chlorophényl)-2-furyl]méthylène}amino]-5-{[(2-méthoxybenzyl)amino]méthyl}-2-(4-morpholinylméthyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
4-[(E)-{[5-(4-Chlorphenyl)-2-furyl]methylen}amino]-5-{[(2-methoxybenzyl)amino]methyl}-2-(4-morpholinylmethyl)-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 659.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.5±34.3 °C
Index of Refraction: 1.665
Molar Refractivity: 151.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 60.45
ACD/KOC (pH 5.5): 455.95
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 210.68
ACD/KOC (pH 7.4): 1588.99
Polar Surface Area: 110 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 407.1±7.0 cm3

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