ChemSpider 2D Image | (2S)-N-(4-Carbamimidoylbenzyl)-1-[(2R)-2-cyclohexyl-2-{[2-oxo-2-(propylamino)ethyl]amino}acetyl]-2-azetidinecarboxamide | C25H38N6O3

(2S)-N-(4-Carbamimidoylbenzyl)-1-[(2R)-2-cyclohexyl-2-{[2-oxo-2-(propylamino)ethyl]amino}acetyl]-2-azetidinecarboxamide

  • Molecular FormulaC25H38N6O3
  • Average mass470.608 Da
  • Monoisotopic mass470.300537 Da
  • ChemSpider ID35034055

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-N-(4-Carbamimidoylbenzyl)-1-[(2R)-2-cyclohexyl-2-{[2-oxo-2-(propylamino)ethyl]amino}acetyl]-2-azetidincarboxamid [German] [ACD/IUPAC Name]
(2S)-N-(4-Carbamimidoylbenzyl)-1-[(2R)-2-cyclohexyl-2-{[2-oxo-2-(propylamino)ethyl]amino}acetyl]-2-azetidinecarboxamide [ACD/IUPAC Name]
(2S)-N-(4-Carbamimidoylbenzyl)-1-[(2R)-2-cyclohexyl-2-{[2-oxo-2-(propylamino)éthyl]amino}acétyl]-2-azétidinecarboxamide [French] [ACD/IUPAC Name]
(2s)-N-(4-Carbamimidoylbenzyl)-1-[(2r)-2-Cyclohexyl-2-{[2-Oxo-2-(Propylamino)ethyl]amino}acetyl]azetidine-2-Carboxamide
2-Azetidinecarboxamide, N-[[4-(aminoiminomethyl)phenyl]methyl]-1-[(2R)-2-cyclohexyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetyl]-, (2S)- [ACD/Index Name]
M67

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 129.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.38
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.29
Polar Surface Area: 140 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 358.5±7.0 cm3

Click to predict properties on the Chemicalize site


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