ChemSpider 2D Image | 2-(11-Hydroxy-3-oxo-3H-dibenzo[c,h]xanthen-7-yl)-5-({6-[{2-[(4-methoxybenzyl)(2-pyridinyl)amino]ethyl}(methyl)amino]hexyl}carbamoyl)benzoic acid | C51H48N4O7

2-(11-Hydroxy-3-oxo-3H-dibenzo[c,h]xanthen-7-yl)-5-({6-[{2-[(4-methoxybenzyl)(2-pyridinyl)amino]ethyl}(methyl)amino]hexyl}carbamoyl)benzoic acid

  • Molecular FormulaC51H48N4O7
  • Average mass828.949 Da
  • Monoisotopic mass828.352295 Da
  • ChemSpider ID23119974

More details:

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

2-(11-Hydroxy-3-oxo-3H-dibenzo[c,h]xanthen-7-yl)-5-({6-[{2-[(4-methoxybenzyl)(2-pyridinyl)amino]ethyl}(methyl)amino]hexyl}carbamoyl)benzoesäure [German] [ACD/IUPAC Name]
2-(11-Hydroxy-3-oxo-3H-dibenzo[c,h]xanthen-7-yl)-5-({6-[{2-[(4-methoxybenzyl)(2-pyridinyl)amino]ethyl}(methyl)amino]hexyl}carbamoyl)benzoic acid [ACD/IUPAC Name]
2-(11-hydroxy-3-oxo-3H-dibenzo[c,h]xanthen-7-yl)-5-({6-[{2-[(4-methoxybenzyl)(pyridin-2-yl)amino]ethyl}(methyl)amino]hexyl}carbamoyl)benzoic acid
Acide 2-(11-hydroxy-3-oxo-3H-dibenzo[c,h]xanthén-7-yl)-5-({6-[{2-[(4-méthoxybenzyl)(2-pyridinyl)amino]éthyl}(méthyl)amino]hexyl}carbamoyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-(11-hydroxy-3-oxo-3H-dibenzo[c,h]xanthen-7-yl)-5-[[[6-[[2-[[(4-methoxyphenyl)methyl]-2-pyridinylamino]ethyl]methylamino]hexyl]amino]carbonyl]- [ACD/Index Name]
6-(11-Hydroxy-3-oxo-3H-dibenzo[c,h]xanthen-7-yl)-N-[6-({2-[(4-methoxy-benzyl)-pyridin-2-yl-amino]-ethyl}-methyl-amino)-hexyl]-isophthalamic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1060.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 162.7±3.0 kJ/mol
Flash Point: 595.2±34.3 °C
Index of Refraction: 1.718
Molar Refractivity: 238.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.87
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 1272.54
ACD/KOC (pH 5.5): 873.11
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 3007.40
ACD/KOC (pH 7.4): 2063.43
Polar Surface Area: 142 Å2
Polarizability: 94.3±0.5 10-24cm3
Surface Tension: 75.6±5.0 dyne/cm
Molar Volume: 603.9±5.0 cm3

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