ChemSpider 2D Image | Ceralasertib | C20H24N6O2S


  • Molecular FormulaC20H24N6O2S
  • Average mass412.509 Da
  • Monoisotopic mass412.168152 Da
  • ChemSpider ID64879993

More details:

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

1H-Pyrrolo[2,3-c]pyridine, 4-[4-(3-methyl-4-morpholinyl)-6-[1-(S-methylsulfonimidoyl)cyclopropyl]-2-pyrimidinyl]- [ACD/Index Name]
4-{4-(3-Methyl-4-morpholinyl)-6-[1-(S-methylsulfonimidoyl)cyclopropyl]-2-pyrimidinyl}-1H-pyrrolo[2,3-c]pyridin [German] [ACD/IUPAC Name]
4-{4-(3-Methyl-4-morpholinyl)-6-[1-(S-methylsulfonimidoyl)cyclopropyl]-2-pyrimidinyl}-1H-pyrrolo[2,3-c]pyridine [ACD/IUPAC Name]
4-{4-(3-Méthyl-4-morpholinyl)-6-[1-(S-méthylsulfonimidoyl)cyclopropyl]-2-pyrimidinyl}-1H-pyrrolo[2,3-c]pyridine [French] [ACD/IUPAC Name]
1352226-88-0 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 600.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 317.0±34.3 °C
Index of Refraction: 1.750
Molar Refractivity: 110.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.44
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 116 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 64.0±7.0 dyne/cm
Molar Volume: 271.3±7.0 cm3

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