ChemSpider 2D Image | 2-[(2-Chloro-4-nitrophenyl)amino]-2-oxoethyl (2R)-2-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)propanoate | C19H17ClFN3O6S

2-[(2-Chloro-4-nitrophenyl)amino]-2-oxoethyl (2R)-2-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)propanoate

  • Molecular FormulaC19H17ClFN3O6S
  • Average mass469.871 Da
  • Monoisotopic mass469.051056 Da
  • ChemSpider ID62698710

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-({2-[(4-Fluorophényl)amino]-2-oxoéthyl}sulfanyl)propanoate de 2-[(2-chloro-4-nitrophényl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
2-[(2-Chlor-4-nitrophenyl)amino]-2-oxoethyl-(2R)-2-({2-[(4-fluorphenyl)amino]-2-oxoethyl}sulfanyl)propanoat [German] [ACD/IUPAC Name]
2-[(2-Chloro-4-nitrophenyl)amino]-2-oxoethyl (2R)-2-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)propanoate [ACD/IUPAC Name]
Propanoic acid, 2-[[2-[(4-fluorophenyl)amino]-2-oxoethyl]thio]-, 2-[(2-chloro-4-nitrophenyl)amino]-2-oxoethyl ester, (2R)- [ACD/Index 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: 708.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.1±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 114.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 548.41
ACD/KOC (pH 5.5): 3178.70
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 547.91
ACD/KOC (pH 7.4): 3175.81
Polar Surface Area: 156 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 311.8±3.0 cm3

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