ChemSpider 2D Image | Ethyl {5-bromo-4-[(Z)-({[3-(3,5-dimethyl-1,2-oxazol-4-yl)adamantan-1-yl]acetyl}hydrazono)methyl]-2-methoxyphenoxy}acetate | C29H36BrN3O6

Ethyl {5-bromo-4-[(Z)-({[3-(3,5-dimethyl-1,2-oxazol-4-yl)adamantan-1-yl]acetyl}hydrazono)methyl]-2-methoxyphenoxy}acetate

  • Molecular FormulaC29H36BrN3O6
  • Average mass602.517 Da
  • Monoisotopic mass601.178711 Da
  • ChemSpider ID100859600

  • Double-bond stereo - Double-bond stereo

More details:

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

{5-Bromo-4-[(Z)-({2-[3-(3,5-diméthyl-1,2-oxazol-4-yl)adamantan-1-yl]acétyl}hydrazono)méthyl]-2-méthoxyphénoxy}acétate d'éthyle [French] [ACD/IUPAC Name]
Ethyl {5-bromo-4-[(Z)-({[3-(3,5-dimethyl-1,2-oxazol-4-yl)adamantan-1-yl]acetyl}hydrazono)methyl]-2-methoxyphenoxy}acetate [ACD/IUPAC Name]
Ethyl-{5-brom-4-[(Z)-({[3-(3,5-dimethyl-1,2-oxazol-4-yl)adamantan-1-yl]acetyl}hydrazono)methyl]-2-methoxyphenoxy}acetat [German] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-acetic acid, 3-(3,5-dimethyl-4-isoxazolyl)-, 2-[(1Z)-[2-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxyphenyl]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: 1.639
Molar Refractivity: 147.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 25343.12
ACD/KOC (pH 5.5): 49416.07
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 25343.06
ACD/KOC (pH 7.4): 49415.96
Polar Surface Area: 112 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 410.6±7.0 cm3

Click to predict properties on the Chemicalize site


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