ChemSpider 2D Image | 2-(4-Fluorobenzyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione | C19H19FN4O3

2-(4-Fluorobenzyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione

  • Molecular FormulaC19H19FN4O3
  • Average mass370.378 Da
  • Monoisotopic mass370.144104 Da
  • ChemSpider ID34982502

More details:

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

2-(4-Fluorbenzyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-6,7,8,9-tetrahydropyrimido[1,6-a]azepin-1,3(2H,5H)-dion [German] [ACD/IUPAC Name]
2-(4-Fluorobenzyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-6,7,8,9-tetrahydropyrimido[1,6-a]azepine-1,3(2H,5H)-dione [ACD/IUPAC Name]
2-(4-Fluorobenzyl)-4-(5-méthyl-1,2,4-oxadiazol-3-yl)-6,7,8,9-tétrahydropyrimido[1,6-a]azépine-1,3(2H,5H)-dione [French] [ACD/IUPAC Name]
Pyrimido[1,6-a]azepine-1,3(2H,5H)-dione, 2-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-4-(5-methyl-1,2,4-oxadiazol-3-yl)- [ACD/Index Name]
[1775439-08-1] [RN]
1775439-08-1 [RN]
2-[(4-fluorophenyl)methyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepine-1,3-dione
BS-6713
MFCD28506413

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

Density: 1.4±0.1 g/cm3
Boiling Point: 530.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 274.8±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 94.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.52
ACD/KOC (pH 5.5): 889.26
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 92.52
ACD/KOC (pH 7.4): 889.26
Polar Surface Area: 80 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 264.1±5.0 cm3

Click to predict properties on the Chemicalize site


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