ChemSpider 2D Image | N-[4-(Dimethylamino)phenyl]-4-{2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-2-oxoethoxy}-1,2,5-oxadiazole-3-carboxamide | C20H21N9O4

N-[4-(Dimethylamino)phenyl]-4-{2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-2-oxoethoxy}-1,2,5-oxadiazole-3-carboxamide

  • Molecular FormulaC20H21N9O4
  • Average mass451.439 Da
  • Monoisotopic mass451.171661 Da
  • ChemSpider ID125134790

More details:

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

1,2,5-Oxadiazole-3-carboxamide, N-[4-(dimethylamino)phenyl]-4-[2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-2-oxoethoxy]- [ACD/Index Name]
N-[4-(Dimethylamino)phenyl]-4-{2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-2-oxoethoxy}-1,2,5-oxadiazol-3-carboxamid [German] [ACD/IUPAC Name]
N-[4-(Dimethylamino)phenyl]-4-{2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-2-oxoethoxy}-1,2,5-oxadiazole-3-carboxamide [ACD/IUPAC Name]
N-[4-(Diméthylamino)phényl]-4-{2-[(5,7-diméthyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-2-oxoéthoxy}-1,2,5-oxadiazole-3-carboxamide [French] [ACD/IUPAC Name]

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: 1.716
Molar Refractivity: 117.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 19.82
ACD/LogD (pH 7.4): -0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.73
Polar Surface Area: 153 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 60.6±7.0 dyne/cm
Molar Volume: 298.8±7.0 cm3

Click to predict properties on the Chemicalize site


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