ChemSpider 2D Image | 3-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-5-{[4-(dimethylamino)phenyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one | C34H31N5O4

3-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-5-{[4-(dimethylamino)phenyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one

  • Molecular FormulaC34H31N5O4
  • Average mass573.641 Da
  • Monoisotopic mass573.237610 Da
  • ChemSpider ID22467842

More details:

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

3-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-5-{[4-(dimethylamino)phenyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-on [German] [ACD/IUPAC Name]
3-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-5-{[4-(dimethylamino)phenyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one [ACD/IUPAC Name]
3-[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]-5-{[4-(diméthylamino)phényl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one [French] [ACD/IUPAC Name]
6H-Anthra[1,9-cd]isoxazol-6-one, 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-[[4-(dimethylamino)phenyl]amino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 796.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 435.6±32.9 °C
Index of Refraction: 1.733
Molar Refractivity: 164.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.95
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: 83 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 70.6±3.0 dyne/cm
Molar Volume: 411.8±3.0 cm3

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