ChemSpider 2D Image | 5-(Cyclohexylamino)-3-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-6H-anthra[1,9-cd][1,2]oxazol-6-one | C34H38N4O5

5-(Cyclohexylamino)-3-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-6H-anthra[1,9-cd][1,2]oxazol-6-one

  • Molecular FormulaC34H38N4O5
  • Average mass582.689 Da
  • Monoisotopic mass582.284241 Da
  • ChemSpider ID28951597

More details:

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

5-(Cyclohexylamino)-3-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-6H-anthra[1,9-cd][1,2]oxazol-6-on [German] [ACD/IUPAC Name]
5-(Cyclohexylamino)-3-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-6H-anthra[1,9-cd][1,2]oxazol-6-one [ACD/IUPAC Name]
5-(Cyclohexylamino)-3-[4-(2,3,4-triméthoxybenzyl)-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-(cyclohexylamino)-3-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 786.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 429.3±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 165.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.68
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: 89 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 450.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement