PLANNED MAINTENANCE

There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.


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
More...

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






Advertisement