ChemSpider 2D Image | N-[(1S)-2-Amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophenecarboxamide | C20H18N4OS

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

  • Molecular FormulaC20H18N4OS
  • Average mass362.448 Da
  • Monoisotopic mass362.120117 Da
  • ChemSpider ID25057110
  • 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-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)- [ACD/Index Name]
N-[(1S)-2-Amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-[(1S)-2-Amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophenecarboxamide [ACD/IUPAC Name]
N-[(1S)-2-Amino-1-phényléthyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide
G95
N-[(1S)-2-amino-1-phenylethyl]-5-{1H-pyrrolo[2,3-b]pyridin-4-yl}thiophene-2-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.707
Molar Refractivity: 105.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 3.60
ACD/KOC (pH 7.4): 41.00
Polar Surface Area: 112 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 65.8±3.0 dyne/cm
Molar Volume: 271.8±3.0 cm3

Click to predict properties on the Chemicalize site






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