ChemSpider 2D Image | Ethyl 1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]-4-piperidinecarboxylate | C30H27N3O6

Ethyl 1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]-4-piperidinecarboxylate

  • Molecular FormulaC30H27N3O6
  • Average mass525.552 Da
  • Monoisotopic mass525.190002 Da
  • ChemSpider ID3508930

More details:

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

1-[5-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-oxo-6H-anthra[1,9-cd]isoxazol-3-yl]-, ethyl ester [ACD/Index Name]
Ethyl 1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-3-yl]-4-piperidincarboxylat [German] [ACD/IUPAC Name]

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

EU-0054652 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 739.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 401.1±32.9 °C
Index of Refraction: 1.683
Molar Refractivity: 142.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.32
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 103 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 66.0±3.0 dyne/cm
Molar Volume: 376.3±3.0 cm3

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