ChemSpider 2D Image | 2-{5-Bromo-2-ethoxy-4-[(Z)-({[3-methyl-5-(2-thienyl)-1,2-oxazol-4-yl]carbonyl}hydrazono)methyl]phenoxy}-N-(4-methylphenyl)acetamide | C27H25BrN4O5S

2-{5-Bromo-2-ethoxy-4-[(Z)-({[3-methyl-5-(2-thienyl)-1,2-oxazol-4-yl]carbonyl}hydrazono)methyl]phenoxy}-N-(4-methylphenyl)acetamide

  • Molecular FormulaC27H25BrN4O5S
  • Average mass597.480 Da
  • Monoisotopic mass596.072876 Da
  • ChemSpider ID100896059

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{5-Brom-2-ethoxy-4-[(Z)-({[3-methyl-5-(2-thienyl)-1,2-oxazol-4-yl]carbonyl}hydrazono)methyl]phenoxy}-N-(4-methylphenyl)acetamid [German] [ACD/IUPAC Name]
2-{5-Bromo-2-ethoxy-4-[(Z)-({[3-methyl-5-(2-thienyl)-1,2-oxazol-4-yl]carbonyl}hydrazono)methyl]phenoxy}-N-(4-methylphenyl)acetamide [ACD/IUPAC Name]
2-{5-Bromo-2-éthoxy-4-[(Z)-({[3-méthyl-5-(2-thiényl)-1,2-oxazol-4-yl]carbonyl}hydrazono)méthyl]phénoxy}-N-(4-méthylphényl)acétamide [French] [ACD/IUPAC Name]
4-Isoxazolecarboxylic acid, 3-methyl-5-(2-thienyl)-, 2-[(1Z)-[2-bromo-5-ethoxy-4-[2-[(4-methylphenyl)amino]-2-oxoethoxy]phenyl]methylene]hydrazide [ACD/Index 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: 1.651
Molar Refractivity: 149.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3100.24
ACD/KOC (pH 5.5): 10983.28
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3098.56
ACD/KOC (pH 7.4): 10977.33
Polar Surface Area: 143 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 409.9±7.0 cm3

Click to predict properties on the Chemicalize site


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