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Search term: JHPCBFLUKPVPEM-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-[4-({4-[4-(4-Acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-1-piperazinyl}methyl)-1H-1,2,3-triazol-1-yl]acetamide | C21H28N8O2S

2-[4-({4-[4-(4-Acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-1-piperazinyl}methyl)-1H-1,2,3-triazol-1-yl]acetamide

  • Molecular FormulaC21H28N8O2S
  • Average mass456.564 Da
  • Monoisotopic mass456.205597 Da
  • ChemSpider ID81153331

More details:

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

1H-1,2,3-Triazole-1-acetamide, 4-[[4-[4-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-thiazolyl]-1-piperazinyl]methyl]- [ACD/Index Name]
2-[4-({4-[4-(4-Acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-1-piperazinyl}methyl)-1H-1,2,3-triazol-1-yl]acetamid [German] [ACD/IUPAC Name]
2-[4-({4-[4-(4-Acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-1-piperazinyl}methyl)-1H-1,2,3-triazol-1-yl]acetamide [ACD/IUPAC Name]
2-[4-({4-[4-(4-Acétyl-3-éthyl-5-méthyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-1-pipérazinyl}méthyl)-1H-1,2,3-triazol-1-yl]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 748.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 406.6±35.7 °C
Index of Refraction: 1.730
Molar Refractivity: 124.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.75
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.39
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 51.05
Polar Surface Area: 154 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 310.8±7.0 cm3

Click to predict properties on the Chemicalize site


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