ChemSpider 2D Image | 6-(2,4-Diamino-6-ethyl-5-pyrimidinyl)-2-(3,4-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one | C25H27F2N5O3

6-(2,4-Diamino-6-ethyl-5-pyrimidinyl)-2-(3,4-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one

  • Molecular FormulaC25H27F2N5O3
  • Average mass483.510 Da
  • Monoisotopic mass483.208191 Da
  • ChemSpider ID23300969

More details:

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

2H-1,4-Benzoxazin-3(4H)-one, 6-(2,4-diamino-6-ethyl-5-pyrimidinyl)-2-(3,4-difluorophenyl)-4-(3-methoxypropyl)-2-methyl- [ACD/Index Name]
6-(2,4-Diamino-6-ethyl-5-pyrimidinyl)-2-(3,4-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one [ACD/IUPAC Name]
6-(2,4-Diamino-6-éthyl-5-pyrimidinyl)-2-(3,4-difluorophényl)-4-(3-méthoxypropyl)-2-méthyl-2H-1,4-benzoxazin-3(4H)-one [French] [ACD/IUPAC Name]
6-(2,4-Diamino-6-ethyl-5-pyrimidinyl)-2-(3,4-difluorphenyl)-4-(3-methoxypropyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-on [German] [ACD/IUPAC Name]
6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,4-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one
1,4-benzoxazin-3-one, 28
6-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-(3,4-difluoro-phenyl)-4-(3-methoxy-propyl)-2-methyl-4Hbenzo[1,4]oxazin-3-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 752.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 409.1±35.7 °C
Index of Refraction: 1.600
Molar Refractivity: 127.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 2.59
ACD/KOC (pH 5.5): 21.19
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 82.65
ACD/KOC (pH 7.4): 677.15
Polar Surface Area: 117 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 372.0±3.0 cm3

Click to predict properties on the Chemicalize site


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