ChemSpider 2D Image | 2-({1-(Ethoxycarbonyl)-6-[(4-methylphenyl)amino]-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinolin-4-yl}sulfanyl)benzoic acid | C33H24N2O6S

2-({1-(Ethoxycarbonyl)-6-[(4-methylphenyl)amino]-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinolin-4-yl}sulfanyl)benzoic acid

  • Molecular FormulaC33H24N2O6S
  • Average mass576.619 Da
  • Monoisotopic mass576.135498 Da
  • ChemSpider ID58191603

More details:

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

2-({1-(Ethoxycarbonyl)-6-[(4-methylphenyl)amino]-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]chinolin-4-yl}sulfanyl)benzoesäure [German] [ACD/IUPAC Name]
2-({1-(Ethoxycarbonyl)-6-[(4-methylphenyl)amino]-2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinolin-4-yl}sulfanyl)benzoic acid [ACD/IUPAC Name]
3H-Naphtho[1,2,3-de]quinoline-1-carboxylic acid, 4-[(2-carboxyphenyl)thio]-2,7-dihydro-6-[(4-methylphenyl)amino]-2,7-dioxo-, 1-ethyl ester [ACD/Index Name]
Acide 2-({1-(éthoxycarbonyl)-6-[(4-méthylphényl)amino]-2,7-dioxo-2,7-dihydro-3H-naphto[1,2,3-de]quinoléin-4-yl}sulfanyl)benzoïque [French] [ACD/IUPAC 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: 810.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 443.8±34.3 °C
Index of Refraction: 1.748
Molar Refractivity: 156.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 53.72
ACD/KOC (pH 5.5): 145.10
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 6.29
ACD/KOC (pH 7.4): 16.99
Polar Surface Area: 147 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 81.8±5.0 dyne/cm
Molar Volume: 386.1±5.0 cm3

Click to predict properties on the Chemicalize site


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