ChemSpider 2D Image | N-(4-Chloro-3-methoxy-1-oxo-1H-isochromen-7-yl)-Nalpha-[(4-methylphenyl)sulfonyl]-L-phenylalaninamide | C26H23ClN2O6S

N-(4-Chloro-3-methoxy-1-oxo-1H-isochromen-7-yl)-Nα-[(4-methylphenyl)sulfonyl]-L-phenylalaninamide

  • Molecular FormulaC26H23ClN2O6S
  • Average mass526.989 Da
  • Monoisotopic mass526.096558 Da
  • ChemSpider ID112913

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzenepropanamide, N-(4-chloro-3-methoxy-1-oxo-1H-2-benzopyran-7-yl)-α-[[(4-methylphenyl)sulfonyl]amino]-, (αS)- [ACD/Index Name]
N-(4-Chlor-3-methoxy-1-oxo-1H-isochromen-7-yl)-Nα-[(4-methylphenyl)sulfonyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-(4-Chloro-3-methoxy-1-oxo-1H-isochromen-7-yl)-Nα-[(4-methylphenyl)sulfonyl]-L-phenylalaninamide [ACD/IUPAC Name]
N-(4-Chloro-3-méthoxy-1-oxo-1H-isochromén-7-yl)-Nα-[(4-méthylphényl)sulfonyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
(S)-N-(4-Chloro-3-methoxy-1-oxo-1H-isochromen-7-yl)-2-(4-methylphenylsulfonamido)-3-phenylpropanamide
7-((N-tosylphenylalanyl)amino)-4-chloro-3-methoxyisocoumarin
99033-29-1 [RN]
Tpacmi

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.664
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2306.62
ACD/KOC (pH 5.5): 8887.06
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2227.07
ACD/KOC (pH 7.4): 8580.56
Polar Surface Area: 119 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 364.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement