ChemSpider 2D Image | 5-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-3-[4-(2-pyrimidinyl)-1-piperazinyl]-6H-anthra[1,9-cd][1,2]oxazol-6-one | C30H24N6O4

5-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-3-[4-(2-pyrimidinyl)-1-piperazinyl]-6H-anthra[1,9-cd][1,2]oxazol-6-one

  • Molecular FormulaC30H24N6O4
  • Average mass532.549 Da
  • Monoisotopic mass532.185913 Da
  • ChemSpider ID20226399

More details:

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

5-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-3-[4-(2-pyrimidinyl)-1-piperazinyl]-6H-anthra[1,9-cd][1,2]oxazol-6-on [German] [ACD/IUPAC Name]
5-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-3-[4-(2-pyrimidinyl)-1-piperazinyl]-6H-anthra[1,9-cd][1,2]oxazol-6-one [ACD/IUPAC Name]
5-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-3-[4-(2-pyrimidinyl)-1-pipérazinyl]-6H-anthra[1,9-cd][1,2]oxazol-6-one [French] [ACD/IUPAC Name]
6H-Anthra[1,9-cd]isoxazol-6-one, 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-3-[4-(2-pyrimidinyl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 820.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 450.2±37.1 °C
Index of Refraction: 1.740
Molar Refractivity: 146.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.86
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: 106 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 77.6±3.0 dyne/cm
Molar Volume: 363.9±3.0 cm3

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