ChemSpider 2D Image | 2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoethyl 2-chloronicotinate | C23H24ClN5O5

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

  • Molecular FormulaC23H24ClN5O5
  • Average mass485.920 Da
  • Monoisotopic mass485.146606 Da
  • ChemSpider ID21965086

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 2-chloronicotinate [ACD/IUPAC Name]
2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoethyl-2-chlornicotinat [German] [ACD/IUPAC Name]
2-Chloronicotinate de 2-[(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2-chloro-, 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-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-methylpropyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
1031487-04-3 [RN]

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: 1.648
Molar Refractivity: 124.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.24
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.66
ACD/KOC (pH 5.5): 87.79
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.45
ACD/KOC (pH 7.4): 82.74
Polar Surface Area: 135 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 70.9±5.0 dyne/cm
Molar Volume: 341.7±5.0 cm3

Click to predict properties on the Chemicalize site


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