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Search term: MAXMBSSGZYMDKT-PMERELPUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5-[(1R)-3-Amino-4,6-difluoro-1-{3-[5-(1-propyn-1-yl)-3-pyridinyl]phenyl}-1H-isoindol-1-yl]-1-ethyl-3-methyl-2(1H)-pyridinone | C30H24F2N4O

5-[(1R)-3-Amino-4,6-difluoro-1-{3-[5-(1-propyn-1-yl)-3-pyridinyl]phenyl}-1H-isoindol-1-yl]-1-ethyl-3-methyl-2(1H)-pyridinone

  • Molecular FormulaC30H24F2N4O
  • Average mass494.535 Da
  • Monoisotopic mass494.191803 Da
  • ChemSpider ID28669634

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(1H)-Pyridinone, 5-[(1R)-3-amino-4,6-difluoro-1-[3-[5-(1-propyn-1-yl)-3-pyridinyl]phenyl]-1H-isoindol-1-yl]-1-ethyl-3-methyl- [ACD/Index Name]
5-[(1R)-3-Amino-4,6-difluor-1-{3-[5-(1-propin-1-yl)-3-pyridinyl]phenyl}-1H-isoindol-1-yl]-1-ethyl-3-methyl-2(1H)-pyridinon [German] [ACD/IUPAC Name]
5-[(1R)-3-Amino-4,6-difluoro-1-{3-[5-(1-propyn-1-yl)-3-pyridinyl]phenyl}-1H-isoindol-1-yl]-1-ethyl-3-methyl-2(1H)-pyridinone [ACD/IUPAC Name]
5-[(1R)-3-Amino-4,6-difluoro-1-{3-[5-(1-propyn-1-yl)-3-pyridinyl]phényl}-1H-isoindol-1-yl]-1-éthyl-3-méthyl-2(1H)-pyridinone [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 724.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.7±35.7 °C
Index of Refraction: 1.630
Molar Refractivity: 140.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1113.94
ACD/KOC (pH 5.5): 5256.66
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1130.38
ACD/KOC (pH 7.4): 5334.27
Polar Surface Area: 72 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 395.1±7.0 cm3

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