ChemSpider 2D Image | benzyl 4-oxo-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine-7-carboxylate | C16H17N3O3

benzyl 4-oxo-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine-7-carboxylate

  • Molecular FormulaC16H17N3O3
  • Average mass299.324 Da
  • Monoisotopic mass299.126984 Da
  • ChemSpider ID24581988

More details:

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

1257856-33-9 [RN]
4-Oxo-1,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azépine-7-carboxylate de benzyle [French] [ACD/IUPAC Name]
7H-Pyrimido[4,5-d]azepine-7-carboxylic acid, 3,4,5,6,8,9-hexahydro-4-oxo-, phenylmethyl ester [ACD/Index Name]
Benzyl 4-oxo-1,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate [ACD/IUPAC Name]
Benzyl 4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate
benzyl 4-oxo-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-d]azepine-7-carboxylate
Benzyl-4-oxo-1,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepin-7-carboxylat [German] [ACD/IUPAC Name]
BENZYL 4-OXO-1H,5H,6H,8H,9H-PYRIMIDO[4,5-D]AZEPINE-7-CARBOXYLATE
benzyl 4-oxo-3,4,5,6,8,9-hexahydropyrimido[4,5-d]azepine-7-carboxylate
benzyl 4-oxo-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepine-7(4H)-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.644
Molar Refractivity: 81.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.82
ACD/KOC (pH 5.5): 151.64
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.82
ACD/KOC (pH 7.4): 151.67
Polar Surface Area: 71 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 225.9±7.0 cm3

Click to predict properties on the Chemicalize site


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