ChemSpider 2D Image | 1-[3-(4-{[(2R)-4-(5-Fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)benzoyl]-D-prolinamide | C34H37F4N5O4

1-[3-(4-{[(2R)-4-(5-Fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)benzoyl]-D-prolinamide

  • Molecular FormulaC34H37F4N5O4
  • Average mass655.682 Da
  • Monoisotopic mass655.278137 Da
  • ChemSpider ID25058694

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[3-(4-{[(2R)-4-(5-Fluor-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluormethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)benzoyl]-D-prolinamid [German] [ACD/IUPAC Name]
1-[3-(4-{[(2R)-4-(5-Fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)benzoyl]-D-prolinamide [ACD/IUPAC Name]
1-[3-(4-{[(2R)-4-(5-Fluoro-2-méthoxyphényl)-2-hydroxy-4-méthyl-2-(trifluorométhyl)pentyl]amino}-6-méthyl-1H-indazol-1-yl)benzoyl]-D-prolinamide [French] [ACD/IUPAC Name]
1-{[3-(4-{[(2r)-4-(5-Fluoro-2-Methoxyphenyl)-2-Hydroxy-4-Methyl-2-(Trifluoromethyl)pentyl]amino}-6-Methyl-1h-Indazol-1-Yl)phenyl]carbonyl}-D-Prolinamide
2-Pyrrolidinecarboxamide, 1-[3-[4-[[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methyl-1H-indazol-1-yl]benzoyl]-, (2R)- [ACD/Index Name]
JZN

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

Density: 1.3±0.1 g/cm3
Boiling Point: 840.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.9±3.0 kJ/mol
Flash Point: 461.8±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 166.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 1554.50
ACD/KOC (pH 5.5): 6699.60
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1555.57
ACD/KOC (pH 7.4): 6704.21
Polar Surface Area: 123 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 486.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement