Found 1 result

Search term: FLJNUPIJNHQZPV-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-(1-Amino-3-phenyl-2-propanyl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophenecarboxamide | C21H19BrN4OS

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

  • Molecular FormulaC21H19BrN4OS
  • Average mass455.371 Da
  • Monoisotopic mass454.046295 Da
  • ChemSpider ID24695132

More details:

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

2-Thiophenecarboxamide, N-[2-amino-1-(phenylmethyl)ethyl]-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)- [ACD/Index Name]
N-(1-Amino-3-phenyl-2-propanyl)-4-brom-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-(1-Amino-3-phenyl-2-propanyl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophenecarboxamide [ACD/IUPAC Name]
N-(1-Amino-3-phényl-2-propanyl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
(±)-N-(1-amino-3-phenylpropan-2-yl)-4-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL469590/

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: 1.705
Molar Refractivity: 118.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.38
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 10.39
ACD/KOC (pH 7.4): 76.06
Polar Surface Area: 112 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 64.9±3.0 dyne/cm
Molar Volume: 304.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement