ChemSpider 2D Image | Ethyl N-[(1S)-1-cyclohexyl-2-(2-{[4-(N'-hydroxycarbamimidoyl)benzyl]carbamoyl}-1-azetidinyl)-2-oxoethyl]glycinate | C24H35N5O5

Ethyl N-[(1S)-1-cyclohexyl-2-(2-{[4-(N'-hydroxycarbamimidoyl)benzyl]carbamoyl}-1-azetidinyl)-2-oxoethyl]glycinate

  • Molecular FormulaC24H35N5O5
  • Average mass473.565 Da
  • Monoisotopic mass473.263824 Da
  • ChemSpider ID68054407

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Ethyl N-[(1S)-1-cyclohexyl-2-(2-{[4-(N'-hydroxycarbamimidoyl)benzyl]carbamoyl}-1-azetidinyl)-2-oxoethyl]glycinate [ACD/IUPAC Name]
Ethyl-N-[(1S)-1-cyclohexyl-2-(2-{[4-(N'-hydroxycarbamimidoyl)benzyl]carbamoyl}-1-azetidinyl)-2-oxoethyl]glycinat [German] [ACD/IUPAC Name]
Glycine, N-[(1S)-2-[2-[[[[4-[(Z)-amino(hydroxyimino)methyl]phenyl]methyl]amino]carbonyl]-1-azetidinyl]-1-cyclohexyl-2-oxoethyl]-, ethyl ester [ACD/Index Name]
N-[(1S)-1-Cyclohexyl-2-(2-{[4-(N'-hydroxycarbamimidoyl)benzyl]carbamoyl}-1-azétidinyl)-2-oxoéthyl]glycinate d'éthyle [French] [ACD/IUPAC Name]

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: 1.635
Molar Refractivity: 125.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 8.38
ACD/KOC (pH 5.5): 119.11
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.88
ACD/KOC (pH 7.4): 325.29
Polar Surface Area: 146 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 349.4±7.0 cm3

Click to predict properties on the Chemicalize site


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