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

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

  • Molecular FormulaC28H30N6O6
  • Average mass546.574 Da
  • Monoisotopic mass546.222656 Da
  • ChemSpider ID21970681

More details:

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

2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoethyl 6-oxo-1-phenyl-1,4,5,6-tetrahydro-3-pyridazinecarboxylate [ACD/IUPAC Name]
2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoethyl-6-oxo-1-phenyl-1,4,5,6-tetrahydro-3-pyridazincarboxylat [German] [ACD/IUPAC Name]
3-Pyridazinecarboxylic acid, 1,4,5,6-tetrahydro-6-oxo-1-phenyl-, 2-[[6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl](2-methylpropyl)amino]-2-oxoethyl ester [ACD/Index Name]
6-Oxo-1-phényl-1,4,5,6-tétrahydro-3-pyridazinecarboxylate 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: 1.657
Molar Refractivity: 146.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -1.13
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.93
ACD/KOC (pH 5.5): 74.86
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.76
ACD/KOC (pH 7.4): 70.51
Polar Surface Area: 155 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 57.8±7.0 dyne/cm
Molar Volume: 398.2±7.0 cm3

Click to predict properties on the Chemicalize site


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