ChemSpider 2D Image | 2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoethyl 3-ethyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylate | C28H30N6O6

2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoethyl 3-ethyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylate

  • Molecular FormulaC28H30N6O6
  • Average mass546.574 Da
  • Monoisotopic mass546.222656 Da
  • ChemSpider ID21958352

More details:

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

1-Phthalazinecarboxylic acid, 3-ethyl-3,4-dihydro-4-oxo-, 2-[[6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl](2-methylpropyl)amino]-2-oxoethyl ester [ACD/Index Name]
2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoethyl 3-ethyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylate [ACD/IUPAC Name]
2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoethyl-3-ethyl-4-oxo-3,4-dihydro-1-phthalazincarboxylat [German] [ACD/IUPAC Name]
3-Éthyl-4-oxo-3,4-dihydro-1-phtalazinecarboxylate de 2-[(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoéthyle [French] [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: 1.658
Molar Refractivity: 146.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.07
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.39
ACD/KOC (pH 5.5): 115.87
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 5.09
ACD/KOC (pH 7.4): 109.34
Polar Surface Area: 155 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 397.4±7.0 cm3

Click to predict properties on the Chemicalize site


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