ChemSpider 2D Image | 2-Methyl-2-propanyl 5-({[2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]amino}methyl)-1H-indole-1-carboxylate | C25H27F2N5O3

2-Methyl-2-propanyl 5-({[2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]amino}methyl)-1H-indole-1-carboxylate

  • Molecular FormulaC25H27F2N5O3
  • Average mass483.510 Da
  • Monoisotopic mass483.208191 Da
  • ChemSpider ID24640490

More details:

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

1H-Indole-1-carboxylic acid, 5-[[[2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-({[2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]amino}methyl)-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-({[2-(2,4-difluorphenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]amino}methyl)-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
5-({[2-(2,4-Difluorophényl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]amino}méthyl)-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 669.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 358.7±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 128.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 7.95
ACD/KOC (pH 5.5): 45.90
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 290.01
ACD/KOC (pH 7.4): 1675.07
Polar Surface Area: 94 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 371.2±7.0 cm3

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