ChemSpider 2D Image | 1-[4-(4-Nitrophenyl)-1-piperazinyl]-3-[3-(1H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]-1-propanone | C17H18N8O4

1-[4-(4-Nitrophenyl)-1-piperazinyl]-3-[3-(1H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]-1-propanone

  • Molecular FormulaC17H18N8O4
  • Average mass398.376 Da
  • Monoisotopic mass398.145111 Da
  • ChemSpider ID32039904

More details:

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

1-[4-(4-Nitrophenyl)-1-piperazinyl]-3-[3-(1H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]-1-propanon [German] [ACD/IUPAC Name]
1-[4-(4-Nitrophenyl)-1-piperazinyl]-3-[3-(1H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]-1-propanone [ACD/IUPAC Name]
1-[4-(4-Nitrophényl)-1-pipérazinyl]-3-[3-(1H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-(4-nitrophenyl)-1-piperazinyl]-3-[3-(4H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]- [ACD/Index 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: 750.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.6±35.7 °C
Index of Refraction: 1.644
Molar Refractivity: 98.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 2.10
ACD/KOC (pH 5.5): 58.28
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.11
Polar Surface Area: 150 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 79.9±3.0 dyne/cm
Molar Volume: 272.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement