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Search term: GHUNSPMEIRXTBW-AWEZNQCLSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(2S)-1-Amino-3-cyclohexyl-2-propanyl]-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophenecarboxamide | C21H25BrN4OS

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

  • Molecular FormulaC21H25BrN4OS
  • Average mass461.418 Da
  • Monoisotopic mass460.093231 Da
  • ChemSpider ID24693714

  • 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-(cyclohexylmethyl)ethyl]-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)- [ACD/Index Name]
943323-98-6 [RN]
N-[(1S)-2-Amino-1-(cyclohexylmethyl)ethyl]-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophenecarboxamide
N-[(2S)-1-Amino-3-cyclohexyl-2-propanyl]-4-brom-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-cyclohexyl-2-propanyl]-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophenecarboxamide [ACD/IUPAC Name]
N-[(2S)-1-Amino-3-cyclohexyl-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/CHEMBL470598/
N-((S)-1-amino-3-cyclohexylpropan-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: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.653
Molar Refractivity: 119.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.19
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 10.18
ACD/KOC (pH 7.4): 59.56
Polar Surface Area: 112 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 325.9±3.0 cm3

Click to predict properties on the Chemicalize site


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