ChemSpider 2D Image | N-(4-Bromophenyl)-2-{2-[3,5-dimethyl-4-(3-methylbutyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}acetamide | C21H25BrN4OS

N-(4-Bromophenyl)-2-{2-[3,5-dimethyl-4-(3-methylbutyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}acetamide

  • Molecular FormulaC21H25BrN4OS
  • Average mass461.418 Da
  • Monoisotopic mass460.093231 Da
  • ChemSpider ID22945796

More details:

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

4-Thiazoleacetamide, N-(4-bromophenyl)-2-[3,5-dimethyl-4-(3-methylbutyl)-1H-pyrazol-1-yl]- [ACD/Index Name]
N-(4-Bromophenyl)-2-{2-[3,5-dimethyl-4-(3-methylbutyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}acetamide [ACD/IUPAC Name]
N-(4-Bromophényl)-2-{2-[3,5-diméthyl-4-(3-méthylbutyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}acétamide [French] [ACD/IUPAC Name]
N-(4-Bromphenyl)-2-{2-[3,5-dimethyl-4-(3-methylbutyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}acetamid [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 120.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5743.85
ACD/KOC (pH 5.5): 17077.69
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5743.85
ACD/KOC (pH 7.4): 17077.69
Polar Surface Area: 88 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 330.8±7.0 cm3

Click to predict properties on the Chemicalize site


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