ChemSpider 2D Image | Telotristat | C25H22ClF3N6O3

Telotristat

  • Molecular FormulaC25H22ClF3N6O3
  • Average mass546.929 Da
  • Monoisotopic mass546.139404 Da
  • ChemSpider ID38000274

More details:

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

1033805-28-5 [RN]
2-amino-3-[4-(2-amino-6-{1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy}pyrimidin-4-yl)phenyl]propanoic acid
2-amino-3-[4-(2-amino-6-{1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy}pyrimidin-4-yl)phenyl]propanoic acid
4-(2-Amino-6-{1-[4-chlor-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluorethoxy}-4-pyrimidinyl)phenylalanin [German] [ACD/IUPAC Name]
4-(2-Amino-6-{1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy}-4-pyrimidinyl)phenylalanine [ACD/IUPAC Name]
4-(2-Amino-6-{1-[4-chloro-2-(3-méthyl-1H-pyrazol-1-yl)phényl]-2,2,2-trifluoroéthoxy}-4-pyrimidinyl)phénylalanine [French] [ACD/IUPAC Name]
Phenylalanine, 4-[2-amino-6-[1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]- [ACD/Index Name]
Telotristat [USAN]
D09973
DB12095
More...

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

381V4FCV2Z [DBID]
LX 1606 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 731.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 396.0±35.7 °C
Index of Refraction: 1.650
Molar Refractivity: 132.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.77
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.51
Polar Surface Area: 142 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 362.4±7.0 cm3

Click to predict properties on the Chemicalize site


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