ChemSpider 2D Image | 2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(2-methoxyethyl)amino]-2-oxoethyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylate | C28H30N6O6

2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(2-methoxyethyl)amino]-2-oxoethyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylate

  • Molecular FormulaC28H30N6O6
  • Average mass546.574 Da
  • Monoisotopic mass546.222656 Da
  • ChemSpider ID21961161

More details:

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

1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-phenyl-, 2-[[6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl](2-methoxyethyl)amino]-2-oxoethyl ester [ACD/Index Name]
2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(2-methoxyethyl)amino]-2-oxoethyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(2-methoxyethyl)amino]-2-oxoethyl-3,5-dimethyl-1-phenyl-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
3,5-Diméthyl-1-phényl-1H-pyrazole-4-carboxylate de 2-[(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)(2-méthoxyéthyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 146.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.29
ACD/KOC (pH 5.5): 232.57
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.40
ACD/KOC (pH 7.4): 218.21
Polar Surface Area: 149 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 406.6±7.0 cm3

Click to predict properties on the Chemicalize site


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