ChemSpider 2D Image | Ilorasertib | C25H21FN6O2S

Ilorasertib

  • Molecular FormulaC25H21FN6O2S
  • Average mass488.537 Da
  • Monoisotopic mass488.143066 Da
  • ChemSpider ID24809095

More details:






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

Ilorasertib [INN] [USAN]
1-(4-{4-Amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-3-(3-fluorophenyl)urea [ACD/IUPAC Name]
1-(4-{4-Amino-7-[1-(2-hydroxyéthyl)-1H-pyrazol-4-yl]thiéno[3,2-c]pyridin-3-yl}phényl)-3-(3-fluorophényl)urée [French] [ACD/IUPAC Name]
1-(4-{4-Amino-7-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl}phenyl)-3-(3-fluorphenyl)harnstoff [German] [ACD/IUPAC Name]
1227939-82-3 [RN]
6L5D03D975
9670
A-968660.0
Abbott-968660
ABT-348
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 675.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 362.4±31.5 °C
Index of Refraction: 1.735
Molar Refractivity: 132.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 175.96
ACD/KOC (pH 5.5): 954.87
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 666.65
ACD/KOC (pH 7.4): 3617.70
Polar Surface Area: 146 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 62.0±7.0 dyne/cm
Molar Volume: 330.4±7.0 cm3

Click to predict properties on the Chemicalize site






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