ChemSpider 2D Image | 2-{[1-(2,4-Dichlorophenyl)ethyl]amino}-2-oxoethyl N-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-beta-alaninate | C18H22Cl2N4O5S

2-{[1-(2,4-Dichlorophenyl)ethyl]amino}-2-oxoethyl N-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-β-alaninate

  • Molecular FormulaC18H22Cl2N4O5S
  • Average mass477.362 Da
  • Monoisotopic mass476.068787 Da
  • ChemSpider ID69718691

More details:

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

2-{[1-(2,4-Dichlorophenyl)ethyl]amino}-2-oxoethyl N-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-β-alaninate [ACD/IUPAC Name]
2-{[1-(2,4-Dichlorphenyl)ethyl]amino}-2-oxoethyl-N-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-β-alaninat [German] [ACD/IUPAC Name]
N-[(1,2-Diméthyl-1H-imidazol-4-yl)sulfonyl]-β-alaninate de 2-{[1-(2,4-dichlorophényl)éthyl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-, 2-[[1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl ester [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.620
Molar Refractivity: 115.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.84
ACD/KOC (pH 5.5): 476.76
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.09
ACD/KOC (pH 7.4): 479.75
Polar Surface Area: 128 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 327.4±7.0 cm3

Click to predict properties on the Chemicalize site


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