ChemSpider 2D Image | 7-[5-(4-Fluorobenzyl)-1,3,4-oxadiazol-2-yl]-5-[4-(methylsulfonyl)-1-piperazinyl]-1,6-naphthyridin-8-ol | C22H21FN6O4S

7-[5-(4-Fluorobenzyl)-1,3,4-oxadiazol-2-yl]-5-[4-(methylsulfonyl)-1-piperazinyl]-1,6-naphthyridin-8-ol

  • Molecular FormulaC22H21FN6O4S
  • Average mass484.503 Da
  • Monoisotopic mass484.132904 Da
  • ChemSpider ID23335713

More details:

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

1,6-Naphthyridin-8-ol, 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-[4-(methylsulfonyl)-1-piperazinyl]- [ACD/Index Name]
7-[5-(4-Fluorbenzyl)-1,3,4-oxadiazol-2-yl]-5-[4-(methylsulfonyl)-1-piperazinyl]-1,6-naphthyridin-8-ol [German] [ACD/IUPAC Name]
7-[5-(4-Fluorobenzyl)-1,3,4-oxadiazol-2-yl]-5-[4-(methylsulfonyl)-1-piperazinyl]-1,6-naphthyridin-8-ol [ACD/IUPAC Name]
7-[5-(4-Fluorobenzyl)-1,3,4-oxadiazol-2-yl]-5-[4-(méthylsulfonyl)-1-pipérazinyl]-1,6-naphtyridin-8-ol [French] [ACD/IUPAC Name]
1,3,4-oxadiazole substituted naphthyridine, 30
7-(5-(4-fluorobenzyl)-1,3,4-oxadiazol-2-yl)-5-(4-(methylsulfonyl)piperazin-1-yl)-1,6-naphthyridin-8-ol
7-[5-(4-fluorobenzyl)-1,3,4-oxadiazol-2-yl]-5-[4-(methylsulfonyl)piperazin-1-yl]-1,6-naphthyridin-8-ol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463424/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 812.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.2±3.0 kJ/mol
Flash Point: 445.0±37.1 °C
Index of Refraction: 1.718
Molar Refractivity: 121.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 24.04
ACD/KOC (pH 5.5): 322.13
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 6.27
ACD/KOC (pH 7.4): 84.04
Polar Surface Area: 134 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 92.7±5.0 dyne/cm
Molar Volume: 308.0±5.0 cm3

Click to predict properties on the Chemicalize site


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