ChemSpider 2D Image | 1-(2,3-Dihydro-1H-inden-5-yl)-1-oxo-2-propanyl 2-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)benzoate | C28H27NO4S

1-(2,3-Dihydro-1H-inden-5-yl)-1-oxo-2-propanyl 2-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)benzoate

  • Molecular FormulaC28H27NO4S
  • Average mass473.583 Da
  • Monoisotopic mass473.166077 Da
  • ChemSpider ID22462524

More details:

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

1-(2,3-Dihydro-1H-inden-5-yl)-1-oxo-2-propanyl 2-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)benzoate [ACD/IUPAC Name]
1-(2,3-Dihydro-1H-inden-5-yl)-1-oxo-2-propanyl-2-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)benzoat [German] [ACD/IUPAC Name]
2-({2-[(4-Méthylphényl)amino]-2-oxoéthyl}sulfanyl)benzoate de 1-(2,3-dihydro-1H-indén-5-yl)-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-[(4-methylphenyl)amino]-2-oxoethyl]thio]-, 2-(2,3-dihydro-1H-inden-5-yl)-1-methyl-2-oxoethyl ester [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: 720.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 389.5±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 134.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11534.67
ACD/KOC (pH 5.5): 28129.93
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11534.96
ACD/KOC (pH 7.4): 28130.64
Polar Surface Area: 98 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 370.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement