ChemSpider 2D Image | Benzyl 2,4-dioxo-1,2,3,4,5,6,8,9-octahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate | C16H17N3O4

Benzyl 2,4-dioxo-1,2,3,4,5,6,8,9-octahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate

  • Molecular FormulaC16H17N3O4
  • Average mass315.324 Da
  • Monoisotopic mass315.121918 Da
  • ChemSpider ID24609619

More details:

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

1207369-43-4 [RN]
2,4-Dioxo-1,2,3,4,5,6,8,9-octahydro-7H-pyrimido[4,5-d]azépine-7-carboxylate de benzyle [French] [ACD/IUPAC Name]
7H-Pyrimido[4,5-d]azepine-7-carboxylic acid, 1,2,3,4,5,6,8,9-octahydro-2,4-dioxo-, phenylmethyl ester [ACD/Index Name]
Benzyl 2,4-dioxo-1,2,3,4,5,6,8,9-octahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate [ACD/IUPAC Name]
Benzyl 2,4-dioxo-3,4,5,6,8,9-hexahydro-1H-pyrimido[4,5-d]azepine-7(2H)-carboxylate
Benzyl-2,4-dioxo-1,2,3,4,5,6,8,9-octahydro-7H-pyrimido[4,5-d]azepin-7-carboxylat [German] [ACD/IUPAC Name]
[1207369-43-4] [RN]
BENZYL 2,4-DIOXO-1H,3H,5H,6H,8H,9H-PYRIMIDO[4,5-D]AZEPINE-7-CARBOXYLATE
benzyl 2,4-dioxo-5,6,8,9-tetrahydro-1H-pyrimido[4,5-d]azepine-7-carboxylate
MFCD17011870 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 81.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.92
ACD/KOC (pH 5.5): 192.66
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.84
ACD/KOC (pH 7.4): 191.15
Polar Surface Area: 88 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 228.4±5.0 cm3

Click to predict properties on the Chemicalize site


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