ChemSpider 2D Image | 4-[4-(1-Benzofuran-5-yl)phenyl]-5-{[1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one | C25H24N4O3

4-[4-(1-Benzofuran-5-yl)phenyl]-5-{[1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC25H24N4O3
  • Average mass428.483 Da
  • Monoisotopic mass428.184845 Da
  • ChemSpider ID65324775

More details:

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

3H-1,2,4-Triazol-3-one, 4-[4-(5-benzofuranyl)phenyl]-5-[[1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl]-2,4-dihydro- [ACD/Index Name]
4-[4-(1-Benzofuran-5-yl)phenyl]-5-{[1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
4-[4-(1-Benzofuran-5-yl)phenyl]-5-{[1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
4-[4-(1-Benzofuran-5-yl)phényl]-5-{[1-(cyclopropylcarbonyl)-3-pyrrolidinyl]méthyl}-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
(S)-4-(4-(Benzofuran-5-yl)phenyl)-3-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)methyl)-1H-1,2,4-triazol-5(4H)-one
1332331-08-4 [RN]
1332331-21-1 [RN]
GSK 2194069
GSK2194069
GSK-2194069
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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: 1.743
Molar Refractivity: 119.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 30.82
ACD/KOC (pH 5.5): 378.61
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 2.11
ACD/KOC (pH 7.4): 25.95
Polar Surface Area: 78 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 61.8±7.0 dyne/cm
Molar Volume: 295.7±7.0 cm3

Click to predict properties on the Chemicalize site


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