ChemSpider 2D Image | (2-Acetamido-1,3-thiazol-4-yl)methyl 5-ethyl-4-nitro-1H-pyrazole-3-carboxylate | C12H13N5O5S

(2-Acetamido-1,3-thiazol-4-yl)methyl 5-ethyl-4-nitro-1H-pyrazole-3-carboxylate

  • Molecular FormulaC12H13N5O5S
  • Average mass339.327 Da
  • Monoisotopic mass339.063751 Da
  • ChemSpider ID65107219

More details:

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

(2-Acetamido-1,3-thiazol-4-yl)methyl 5-ethyl-4-nitro-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
(2-Acetamido-1,3-thiazol-4-yl)methyl-5-ethyl-4-nitro-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
1H-Pyrazole-3-carboxylic acid, 5-ethyl-4-nitro-, [2-(acetylamino)-4-thiazolyl]methyl ester [ACD/Index Name]
5-Éthyl-4-nitro-1H-pyrazole-3-carboxylate de (2-acétamido-1,3-thiazol-4-yl)méthyle [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 81.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.40
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 6.27
ACD/KOC (pH 5.5): 127.87
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.44
ACD/KOC (pH 7.4): 29.38
Polar Surface Area: 171 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 76.7±3.0 dyne/cm
Molar Volume: 220.0±3.0 cm3

Click to predict properties on the Chemicalize site


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