ChemSpider 2D Image | 5-[(S)-[4-(4-Fluorophenyl)-1-piperazinyl](4-nitrophenyl)methyl]-2-(2-furyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol | C25H21FN6O4S

5-[(S)-[4-(4-Fluorophenyl)-1-piperazinyl](4-nitrophenyl)methyl]-2-(2-furyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

  • Molecular FormulaC25H21FN6O4S
  • Average mass520.535 Da
  • Monoisotopic mass520.132874 Da
  • ChemSpider ID62323932

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-[(S)-[4-(4-Fluorophenyl)-1-piperazinyl](4-nitrophenyl)methyl]-2-(2-furyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol [ACD/IUPAC Name]
5-[(S)-[4-(4-Fluorophényl)-1-pipérazinyl](4-nitrophényl)méthyl]-2-(2-furyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol [French] [ACD/IUPAC Name]
5-[(S)-[4-(4-Fluorphenyl)-1-piperazinyl](4-nitrophenyl)methyl]-2-(2-furyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol [German] [ACD/IUPAC Name]
Thiazolo[3,2-b][1,2,4]triazol-6-ol, 5-[(S)-[4-(4-fluorophenyl)-1-piperazinyl](4-nitrophenyl)methyl]-2-(2-furanyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.757
Molar Refractivity: 136.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 23.56
ACD/KOC (pH 5.5): 160.20
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 3.79
ACD/KOC (pH 7.4): 25.74
Polar Surface Area: 144 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 68.1±7.0 dyne/cm
Molar Volume: 331.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement