ChemSpider 2D Image | 5-[(4-Bromo-2-fluorophenyl)amino]-6-chloro-3-(3-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione | C17H15BrClFN4O3

5-[(4-Bromo-2-fluorophenyl)amino]-6-chloro-3-(3-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione

  • Molecular FormulaC17H15BrClFN4O3
  • Average mass457.681 Da
  • Monoisotopic mass456.000000 Da
  • ChemSpider ID34950216

More details:

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

5-[(4-Brom-2-fluorphenyl)amino]-6-chlor-3-(3-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidin-4,7(3H,8H)-dion [German] [ACD/IUPAC Name]
5-[(4-Bromo-2-fluorophenyl)amino]-6-chloro-3-(3-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione [ACD/IUPAC Name]
5-[(4-Bromo-2-fluorophényl)amino]-6-chloro-3-(3-hydroxypropyl)-8-méthylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione [French] [ACD/IUPAC Name]
Pyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione, 5-[(4-bromo-2-fluorophenyl)amino]-6-chloro-3-(3-hydroxypropyl)-8-methyl- [ACD/Index Name]
US8470837, 34

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

Density: 1.7±0.1 g/cm3
Boiling Point: 487.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 248.5±31.5 °C
Index of Refraction: 1.685
Molar Refractivity: 101.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.14
ACD/KOC (pH 5.5): 96.29
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.14
ACD/KOC (pH 7.4): 96.29
Polar Surface Area: 85 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 267.4±7.0 cm3

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