ChemSpider 2D Image | N-[2-(4-{[(4-Fluorobenzyl)amino](hydroxy)methylene}-1-methyl-5,6-dioxo-1,4,5,6-tetrahydro-2-pyrimidinyl)-2-propanyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide | C20H21FN6O5

N-[2-(4-{[(4-Fluorobenzyl)amino](hydroxy)methylene}-1-methyl-5,6-dioxo-1,4,5,6-tetrahydro-2-pyrimidinyl)-2-propanyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide

  • Molecular FormulaC20H21FN6O5
  • Average mass444.416 Da
  • Monoisotopic mass444.155731 Da
  • ChemSpider ID57618160

More details:

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

1,3,4-Oxadiazole-2-carboxamide, N-[1-[4-[[[(4-fluorophenyl)methyl]amino]hydroxymethylene]-1,4,5,6-tetrahydro-1-methyl-5,6-dioxo-2-pyrimidinyl]-1-methylethyl]-5-methyl- [ACD/Index Name]
N-[2-(4-{[(4-Fluorbenzyl)amino](hydroxy)methylen}-1-methyl-5,6-dioxo-1,4,5,6-tetrahydro-2-pyrimidinyl)-2-propanyl]-5-methyl-1,3,4-oxadiazol-2-carboxamid [German] [ACD/IUPAC Name]
N-[2-(4-{[(4-Fluorobenzyl)amino](hydroxy)methylene}-1-methyl-5,6-dioxo-1,4,5,6-tetrahydro-2-pyrimidinyl)-2-propanyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide [ACD/IUPAC Name]
N-[2-(4-{[(4-Fluorobenzyl)amino](hydroxy)méthylène}-1-méthyl-5,6-dioxo-1,4,5,6-tétrahydro-2-pyrimidinyl)-2-propanyl]-5-méthyl-1,3,4-oxadiazole-2-carboxamide [French] [ACD/IUPAC Name]
518048-05-0 [RN]
Raltegravir [INN] [USAN] [Wiki]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 110.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.33
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.25
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.20
Polar Surface Area: 150 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 303.5±7.0 cm3

Click to predict properties on the Chemicalize site


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