ChemSpider 2D Image | 2-Methyl-2-propanyl [2-(5-{[(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(methyl)amino]methyl}-1,2,4-oxadiazol-3-yl)-2-propanyl]carbamate | C20H33N7O5

2-Methyl-2-propanyl [2-(5-{[(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(methyl)amino]methyl}-1,2,4-oxadiazol-3-yl)-2-propanyl]carbamate

  • Molecular FormulaC20H33N7O5
  • Average mass451.520 Da
  • Monoisotopic mass451.254303 Da
  • ChemSpider ID34332845

More details:






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

[2-(5-{[(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)(méthyl)amino]méthyl}-1,2,4-oxadiazol-3-yl)-2-propanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [2-(5-{[(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(methyl)amino]methyl}-1,2,4-oxadiazol-3-yl)-2-propanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[2-(5-{[(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(methyl)amino]methyl}-1,2,4-oxadiazol-3-yl)-2-propanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[5-[[(6-amino-1-butyl-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)methylamino]methyl]-1,2,4-oxadiazol-3-yl]-1-methylethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.570
Molar Refractivity: 116.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.70
ACD/KOC (pH 5.5): 62.16
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.09
ACD/KOC (pH 7.4): 94.23
Polar Surface Area: 156 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 354.9±5.0 cm3

Click to predict properties on the Chemicalize site






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