ChemSpider 2D Image | Methyl 3-[(N-{3-[(2-azido-2-methylpropanoyl)amino]-5-bromo-2-methoxybenzoyl}-2-methylalanyl)amino]-5-bromo-2-methoxybenzoate | C25H28Br2N6O7

Methyl 3-[(N-{3-[(2-azido-2-methylpropanoyl)amino]-5-bromo-2-methoxybenzoyl}-2-methylalanyl)amino]-5-bromo-2-methoxybenzoate

  • Molecular FormulaC25H28Br2N6O7
  • Average mass684.334 Da
  • Monoisotopic mass682.038635 Da
  • ChemSpider ID21119392

More details:

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

3-[(N-{3-[(2-Azido-2-méthylpropanoyl)amino]-5-bromo-2-méthoxybenzoyl}-2-méthylalanyl)amino]-5-bromo-2-méthoxybenzoate de méthyle [French] [ACD/IUPAC Name]
benzoic acid, 3-[[(1Z)-2-[[(1Z)-[3-[[(1E)-2-azido-1-hydroxy-2-methylpropylidene]amino]-5-bromo-2-methoxyphenyl]hydroxymethylene]amino]-1-hydroxy-2-methylpropylidene]amino]-5-bromo-2-methoxy-, methyl ester
Benzoic acid, 3-[[2-[[3-[(2-azido-2-methyl-1-oxopropyl)amino]-5-bromo-2-methoxybenzoyl]amino]-2-methyl-1-oxopropyl]amino]-5-bromo-2-methoxy-, methyl ester [ACD/Index Name]
Methyl 3-[(N-{3-[(2-azido-2-methylpropanoyl)amino]-5-bromo-2-methoxybenzoyl}-2-methylalanyl)amino]-5-bromo-2-methoxybenzoate [ACD/IUPAC Name]
Methyl 3-{[2-({3-[(2-azido-2-methylpropanoyl)amino]-5-bromo-2-methoxybenzoyl}amino)-2-methylpropanoyl]amino}-5-bromo-2-methoxybenzoate
Methyl-3-[(N-{3-[(2-azido-2-methylpropanoyl)amino]-5-brom-2-methoxybenzoyl}-2-methylalanyl)amino]-5-brom-2-methoxybenzoat [German] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 7.97
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 109.39
ACD/KOC (pH 5.5): 206.90
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.15
Polar Surface Area: 155 Å2
Polarizability:
Surface Tension:
Molar Volume:

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