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Search term: CYBHYLPLXYMGPJ-ZDUSSCGKSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(2S)-1-Amino-3-(4-pyridinyl)-2-propanyl]-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophenecarboxamide | C20H18BrN5OS

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

  • Molecular FormulaC20H18BrN5OS
  • Average mass456.359 Da
  • Monoisotopic mass455.041534 Da
  • ChemSpider ID24708237

  • 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-(4-pyridinylmethyl)ethyl]-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)- [ACD/Index Name]
N-[(2S)-1-Amino-3-(4-pyridinyl)-2-propanyl]-4-brom-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-(4-pyridinyl)-2-propanyl]-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophenecarboxamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-(4-pyridinyl)-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/CHEMBL498051/
N-((S)-1-amino-3-(pyridin-4-yl)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: 1.710
Molar Refractivity: 116.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 4.36
ACD/KOC (pH 7.4): 53.06
Polar Surface Area: 125 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 69.1±3.0 dyne/cm
Molar Volume: 297.4±3.0 cm3

Click to predict properties on the Chemicalize site


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