ChemSpider 2D Image | 6-(2,4-Difluorophenoxy)-8-methyl-2-{[(2S)-1-(2H-tetrazol-2-yl)-2-propanyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one | C18H16F2N8O2

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

  • Molecular FormulaC18H16F2N8O2
  • Average mass414.369 Da
  • Monoisotopic mass414.136414 Da
  • ChemSpider ID25058046

  • 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-{[(1s)-1-Methyl-2-(2h-Tetrazol-2-Yl)ethyl]amino}pyrido[2,3-D]pyrimidin-7(8h)-One
6-(2,4-Difluorophenoxy)-8-methyl-2-{[(2S)-1-(2H-tetrazol-2-yl)-2-propanyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one [ACD/IUPAC Name]
6-(2,4-Difluorophénoxy)-8-méthyl-2-{[(2S)-1-(2H-tétrazol-2-yl)-2-propanyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one [French] [ACD/IUPAC Name]
6-(2,4-Difluorphenoxy)-8-methyl-2-{[(2S)-1-(2H-tetrazol-2-yl)-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-[[(1S)-1-methyl-2-(2H-tetrazol-2-yl)ethyl]amino]- [ACD/Index Name]
FMK

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

Density: 1.6±0.1 g/cm3
Boiling Point: 598.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.7±32.9 °C
Index of Refraction: 1.704
Molar Refractivity: 103.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.51
ACD/KOC (pH 5.5): 199.63
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.60
ACD/KOC (pH 7.4): 201.13
Polar Surface Area: 111 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 265.8±7.0 cm3

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