ChemSpider 2D Image | Ethyl 4-({[2-(4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)phenoxy]acetyl}amino)benzoate | C34H30N2O5

Ethyl 4-({[2-(4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)phenoxy]acetyl}amino)benzoate

  • Molecular FormulaC34H30N2O5
  • Average mass546.612 Da
  • Monoisotopic mass546.215454 Da
  • ChemSpider ID12527899

More details:

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

4-({2-[2-(4-Oxo-1,2,3,4,5,6-hexahydrobenzo[a]phénanthridin-5-yl)phénoxy]acétyl}amino)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[2-(1,2,3,4,5,6-hexahydro-4-oxobenzo[a]phenanthridin-5-yl)phenoxy]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-({[2-(4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)phenoxy]acetyl}amino)benzoate [ACD/IUPAC Name]
Ethyl-4-({[2-(4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)phenoxy]acetyl}amino)benzoat [German] [ACD/IUPAC Name]
4-{2-[2-(4-Oxo-1,2,3,4,5,6-hexahydro-benzo[a]phenanthridin-5-yl)-phenoxy]-acetylamino}-benzoic acid ethyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 809.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 443.6±34.3 °C
Index of Refraction: 1.686
Molar Refractivity: 155.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 6.28
ACD/BCF (pH 5.5): 34901.48
ACD/KOC (pH 5.5): 62131.80
ACD/LogD (pH 7.4): 6.28
ACD/BCF (pH 7.4): 34911.75
ACD/KOC (pH 7.4): 62150.09
Polar Surface Area: 94 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 409.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement