ChemSpider 2D Image | 2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-{[4-(4-{4-[(4-fluorophenyl)carbamoyl]phenyl}-1-piperazinyl)-2-methylphenoxy]methyl}-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol | C38H37F3N6O3

2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-{[4-(4-{4-[(4-fluorophenyl)carbamoyl]phenyl}-1-piperazinyl)-2-methylphenoxy]methyl}-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol

  • Molecular FormulaC38H37F3N6O3
  • Average mass682.734 Da
  • Monoisotopic mass682.287903 Da
  • ChemSpider ID103748875

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-{[4-(4-{4-[(4-fluorophenyl)carbamoyl]phenyl}-1-piperazinyl)-2-methylphenoxy]methyl}-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol [ACD/IUPAC Name]
2,5-Anhydro-1,3,4-tridésoxy-2-(2,4-difluorophényl)-4-{[4-(4-{4-[(4-fluorophényl)carbamoyl]phényl}-1-pipérazinyl)-2-méthylphénoxy]méthyl}-1-(1H-1,2,4-triazol-1-yl)-D-thréo-pentitol [French] [ACD/IUPAC Name]
2,5-Anhydro-1,3,4-tridesoxy-2-(2,4-difluorphenyl)-4-{[4-(4-{4-[(4-fluorphenyl)carbamoyl]phenyl}-1-piperazinyl)-2-methylphenoxy]methyl}-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol [German] [ACD/IUPAC Name]
D-threo-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[[(4-fluorophenyl)amino]carbonyl]phenyl]-1-piperazinyl]-2-methylphenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)- [ACD/Index Name]
1931946-73-4 [RN]
4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]-3-methylphenyl]piperazin-1-yl]-N-(4-fluorophenyl)benzamide
Opelconazole
PC945

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.638
Molar Refractivity: 184.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 811.08
ACD/KOC (pH 5.5): 2327.65
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 5967.99
ACD/KOC (pH 7.4): 17127.03
Polar Surface Area: 85 Å2
Polarizability: 73.1±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 513.1±7.0 cm3

Click to predict properties on the Chemicalize site


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