ChemSpider 2D Image | 6-(2,4-Difluorophenoxy)-8-methyl-2-{[(2R)-1-(methylsulfonyl)-2-propanyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one | C18H18F2N4O4S

6-(2,4-Difluorophenoxy)-8-methyl-2-{[(2R)-1-(methylsulfonyl)-2-propanyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one

  • Molecular FormulaC18H18F2N4O4S
  • Average mass424.422 Da
  • Monoisotopic mass424.101685 Da
  • ChemSpider ID25057547

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-D]pyrimidin-7(8H)-one
6-(2,4-Difluorophenoxy)-8-methyl-2-{[(2R)-1-(methylsulfonyl)-2-propanyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one [ACD/IUPAC Name]
6-(2,4-Difluorophénoxy)-8-méthyl-2-{[(2R)-1-(méthylsulfonyl)-2-propanyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one [French] [ACD/IUPAC Name]
6-(2,4-Difluorphenoxy)-8-methyl-2-{[(2R)-1-(methylsulfonyl)-2-propanyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-on [German] [ACD/IUPAC Name]
Pyrido[2,3-d]pyrimidin-7(8H)-one, 6-(2,4-difluorophenoxy)-8-methyl-2-[[(1R)-1-methyl-2-(methylsulfonyl)ethyl]amino]- [ACD/Index Name]
FLS

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 618.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 327.8±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 100.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.09
ACD/KOC (pH 5.5): 253.73
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.22
ACD/KOC (pH 7.4): 255.70
Polar Surface Area: 110 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 289.8±3.0 cm3

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