ChemSpider 2D Image | 6-Chloro-4-ethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-valinate | C23H24ClNO6S

6-Chloro-4-ethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-valinate

  • Molecular FormulaC23H24ClNO6S
  • Average mass477.958 Da
  • Monoisotopic mass477.101288 Da
  • ChemSpider ID21834347

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

6-Chlor-4-ethyl-2-oxo-2H-chromen-7-yl-N-[(4-methylphenyl)sulfonyl]-L-valinat [German] [ACD/IUPAC Name]
6-Chloro-4-ethyl-2-oxo-2H-chromen-7-yl N-[(4-methylphenyl)sulfonyl]-L-valinate [ACD/IUPAC Name]
L-Valine, N-[(4-methylphenyl)sulfonyl]-, 6-chloro-4-ethyl-2-oxo-2H-1-benzopyran-7-yl ester [ACD/Index Name]
N-[(4-Méthylphényl)sulfonyl]-L-valinate de 6-chloro-4-éthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
(S)-6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 3-methyl-2-(4-methylphenylsulfonamido)butanoate
3-Methyl-2-(toluene-4-sulfonylamino)-butyric acid 6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl ester
6-chloro-4-ethyl-2-oxochromen-7-yl (2S)-3-methyl-2-{[(4-methylphenyl)sulfonyl]amino}butanoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 643.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.7±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 121.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3723.48
ACD/KOC (pH 5.5): 12518.61
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3454.03
ACD/KOC (pH 7.4): 11612.70
Polar Surface Area: 107 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 363.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement