ChemSpider 2D Image | ABT-288 | C23H24N4O

ABT-288

  • Molecular FormulaC23H24N4O
  • Average mass372.463 Da
  • Monoisotopic mass372.195007 Da
  • ChemSpider ID34980744

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-{4'-[(3aR,6aR)-5-Methylhexahydropyrrolo[3,4-b]pyrrol-1(2H)-yl]-4-biphenylyl}-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
2-{4'-[(3aR,6aR)-5-Methylhexahydropyrrolo[3,4-b]pyrrol-1(2H)-yl]-4-biphenylyl}-3(2H)-pyridazinone [ACD/IUPAC Name]
2-{4'-[(3aR,6aR)-5-Méthylhexahydropyrrolo[3,4-b]pyrrol-1(2H)-yl]-4-biphénylyl}-3(2H)-pyridazinone [French] [ACD/IUPAC Name]
3(2H)-Pyridazinone, 2-[4'-[(3aR,6aR)-hexahydro-5-methylpyrrolo[3,4-b]pyrrol-1(2H)-yl][1,1'-biphenyl]-4-yl]- [ACD/Index Name]
5MEI1M3NHH
948845-91-8 [RN]
ABT-288
2-[4-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]phenyl]pyridazin-3-one
2-[4-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-c]pyrrol-1-yl]phenyl]phenyl]pyridazin-3-one
ABT 288
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 567.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 296.9±32.9 °C
Index of Refraction: 1.683
Molar Refractivity: 111.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.02
Polar Surface Area: 39 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 293.6±7.0 cm3

Click to predict properties on the Chemicalize site


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