ChemSpider 2D Image | tenalisib | C23H18FN5O2

tenalisib

  • Molecular FormulaC23H18FN5O2
  • Average mass415.420 Da
  • Monoisotopic mass415.144440 Da
  • ChemSpider ID52083673
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

10249
1639417-53-0 [RN]
3-(3-Fluorophenyl)-2-[(1S)-1-(9H-purin-6-ylamino)propyl]-4H-chromen-4-one [ACD/IUPAC Name]
3-(3-Fluorophényl)-2-[(1S)-1-(9H-purin-6-ylamino)propyl]-4H-chromén-4-one [French] [ACD/IUPAC Name]
3-(3-FLUOROPHENYL)-2-[(1S)-1-[(9H-PURIN-6-YL)AMINO]PROPYL]-4H-CHROMEN-4-ONE
3-(3-Fluorphenyl)-2-[(1S)-1-(9H-purin-6-ylamino)propyl]-4H-chromen-4-on [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(3-fluorophenyl)-2-[(1S)-1-(9H-purin-6-ylamino)propyl]- [ACD/Index Name]
tenalisib [INN]
tenalisib [Spanish] [INN]
ténalisib [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2261HH611H [DBID]
UNII:2261HH611H [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.715
Molar Refractivity: 113.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2415.54
ACD/KOC (pH 5.5): 9142.99
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2447.55
ACD/KOC (pH 7.4): 9264.16
Polar Surface Area: 93 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 75.2±3.0 dyne/cm
Molar Volume: 289.5±3.0 cm3

Click to predict properties on the Chemicalize site






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