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Search term: KMQXREKGCPOVGN-ZDUSSCGKSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{(2S)-1-Amino-3-[2-(trifluoromethyl)phenyl]-2-propanyl}-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophenecarboxamide | C22H18BrF3N4OS

N-{(2S)-1-Amino-3-[2-(trifluoromethyl)phenyl]-2-propanyl}-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophenecarboxamide

  • Molecular FormulaC22H18BrF3N4OS
  • Average mass523.369 Da
  • Monoisotopic mass522.033691 Da
  • ChemSpider ID24717793

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Thiophenecarboxamide, N-[(1S)-2-amino-1-[[2-(trifluoromethyl)phenyl]methyl]ethyl]-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)- [ACD/Index Name]
N-{(2S)-1-Amino-3-[2-(trifluormethyl)phenyl]-2-propanyl}-4-brom-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-{(2S)-1-Amino-3-[2-(trifluoromethyl)phenyl]-2-propanyl}-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophenecarboxamide [ACD/IUPAC Name]
N-{(2S)-1-Amino-3-[2-(trifluorométhyl)phényl]-2-propanyl}-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL520788/
N-((S)-1-amino-3-(2-(trifluoromethyl)phenyl)propan-2-yl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 123.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 7.77
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 60.63
ACD/KOC (pH 7.4): 296.67
Polar Surface Area: 112 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 337.7±3.0 cm3

Click to predict properties on the Chemicalize site


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