ChemSpider 2D Image | 2-[4-(2-{[1-(2-Chlorobenzyl)-1H-1,2,3-triazol-4-yl]methyl}-1,1-dioxido-1,2-thiazolidin-4-yl)-1-piperazinyl]ethyl 2-cyclopenten-1-ylacetate | C26H35ClN6O4S

2-[4-(2-{[1-(2-Chlorobenzyl)-1H-1,2,3-triazol-4-yl]methyl}-1,1-dioxido-1,2-thiazolidin-4-yl)-1-piperazinyl]ethyl 2-cyclopenten-1-ylacetate

  • Molecular FormulaC26H35ClN6O4S
  • Average mass563.112 Da
  • Monoisotopic mass562.212891 Da
  • ChemSpider ID34508279

More details:

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

2-[4-(2-{[1-(2-Chlorbenzyl)-1H-1,2,3-triazol-4-yl]methyl}-1,1-dioxido-1,2-thiazolidin-4-yl)-1-piperazinyl]ethyl-2-cyclopenten-1-ylacetat [German] [ACD/IUPAC Name]
2-[4-(2-{[1-(2-Chlorobenzyl)-1H-1,2,3-triazol-4-yl]methyl}-1,1-dioxido-1,2-thiazolidin-4-yl)-1-piperazinyl]ethyl 2-cyclopenten-1-ylacetate [ACD/IUPAC Name]
2-Cyclopentén-1-ylacétate de 2-[4-(2-{[1-(2-chlorobenzyl)-1H-1,2,3-triazol-4-yl]méthyl}-1,1-dioxydo-1,2-thiazolidin-4-yl)-1-pipérazinyl]éthyle [French] [ACD/IUPAC Name]
2-Cyclopentene-1-acetic acid, 2-[4-[2-[[1-[(2-chlorophenyl)methyl]-1H-1,2,3-triazol-4-yl]methyl]-1,1-dioxido-4-isothiazolidinyl]-1-piperazinyl]ethyl ester [ACD/Index 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: 721.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 390.4±35.7 °C
Index of Refraction: 1.676
Molar Refractivity: 148.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 2.20
ACD/KOC (pH 5.5): 31.03
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 21.42
ACD/KOC (pH 7.4): 301.64
Polar Surface Area: 109 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 393.9±7.0 cm3

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