ChemSpider 2D Image | 2-Methyl-2-propanyl 2-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butanyl]-2-[(2-furylmethyl)carbamothioyl]hydrazinecarboxylate | C23H28F2N6O4S

2-Methyl-2-propanyl 2-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butanyl]-2-[(2-furylmethyl)carbamothioyl]hydrazinecarboxylate

  • Molecular FormulaC23H28F2N6O4S
  • Average mass522.568 Da
  • Monoisotopic mass522.186096 Da
  • ChemSpider ID9931204

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(2R,3R)-3-(2,4-Difluorophényl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butanyl]-2-[(2-furylméthyl)carbamothioyl]hydrazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butanyl]-2-[(2-furylmethyl)carbamothioyl]hydrazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-[(2R,3R)-3-(2,4-difluorphenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)-2-butanyl]-2-[(2-furylmethyl)carbamothioyl]hydrazincarboxylat [German] [ACD/IUPAC Name]
Hydrazinecarboxylic acid, 2-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-2-[[(2-furanylmethyl)amino]thioxomethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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: 1.604
Molar Refractivity: 132.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.65
ACD/KOC (pH 5.5): 1008.55
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 81.60
ACD/KOC (pH 7.4): 743.78
Polar Surface Area: 150 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 386.5±7.0 cm3

Click to predict properties on the Chemicalize site


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