ChemSpider 2D Image | 1-(3-Methylbutyl)-7-phenyl-2H-pyrimido[4,5-d][1,3]oxazine-2,4(1H)-dione | C17H17N3O3

1-(3-Methylbutyl)-7-phenyl-2H-pyrimido[4,5-d][1,3]oxazine-2,4(1H)-dione

  • Molecular FormulaC17H17N3O3
  • Average mass311.335 Da
  • Monoisotopic mass311.126984 Da
  • ChemSpider ID24609719

More details:

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

1-(3-Methylbutyl)-7-phenyl-2H-pyrimido[4,5-d][1,3]oxazin-2,4(1H)-dion [German] [ACD/IUPAC Name]
1-(3-Methylbutyl)-7-phenyl-2H-pyrimido[4,5-d][1,3]oxazine-2,4(1H)-dione [ACD/IUPAC Name]
1-(3-Méthylbutyl)-7-phényl-2H-pyrimido[4,5-d][1,3]oxazine-2,4(1H)-dione [French] [ACD/IUPAC Name]
2H-Pyrimido[4,5-d][1,3]oxazine-2,4(1H)-dione, 1-(3-methylbutyl)-7-phenyl- [ACD/Index Name]
[1253791-44-4] [RN]
1-(3-methylbutyl)-7-phenylpyrimido[4,5-d][1,3]oxazine-2,4-dione
1253791-44-4 [RN]
1-isopentyl-7-phenyl-1H-pyrimido[4,5-d][1,3]oxazine-2,4-dione
1-Isopentyl-7-phenyl-1H-pyrimido-[4,5-d][1,3]oxazine-2,4-dione
5-cyano-4-methyl-3-phenyl-thiophene-2-carboxamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 406.8±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 199.9±30.4 °C
Index of Refraction: 1.578
Molar Refractivity: 83.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.65
ACD/KOC (pH 5.5): 585.94
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.66
ACD/KOC (pH 7.4): 585.95
Polar Surface Area: 72 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 250.6±3.0 cm3

Click to predict properties on the Chemicalize site


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