ChemSpider 2D Image | 5-[(2-{[3-(4-Ethyl-1-piperazinyl)propyl]amino}-2-oxoethoxy)methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide | C22H32N6O4S

5-[(2-{[3-(4-Ethyl-1-piperazinyl)propyl]amino}-2-oxoethoxy)methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide

  • Molecular FormulaC22H32N6O4S
  • Average mass476.592 Da
  • Monoisotopic mass476.220581 Da
  • ChemSpider ID22977493

More details:

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

1,3,4-Thiadiazole-2-carboxamide, 5-[[2-[[3-(4-ethyl-1-piperazinyl)propyl]amino]-2-oxoethoxy]methyl]-N-(4-methoxyphenyl)- [ACD/Index Name]
5-[(2-{[3-(4-Ethyl-1-piperazinyl)propyl]amino}-2-oxoethoxy)methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-carboxamid [German] [ACD/IUPAC Name]
5-[(2-{[3-(4-Ethyl-1-piperazinyl)propyl]amino}-2-oxoethoxy)methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide [ACD/IUPAC Name]
5-[(2-{[3-(4-Éthyl-1-pipérazinyl)propyl]amino}-2-oxoéthoxy)méthyl]-N-(4-méthoxyphényl)-1,3,4-thiadiazole-2-carboxamide [French] [ACD/IUPAC Name]
5-[(2-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-2-oxoethoxy)methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.588
Molar Refractivity: 128.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 0.97
ACD/LogD (pH 5.5): -1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.28
Polar Surface Area: 137 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 381.6±3.0 cm3

Click to predict properties on the Chemicalize site


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