ChemSpider 2D Image | Ethyl N-({(1S,2S,4R)-1-[(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl}carbamoyl)-N-[3-(1H-imidazol-1-yl)propyl]glycinate | C34H49N5O5S

Ethyl N-({(1S,2S,4R)-1-[(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl}carbamoyl)-N-[3-(1H-imidazol-1-yl)propyl]glycinate

  • Molecular FormulaC34H49N5O5S
  • Average mass639.848 Da
  • Monoisotopic mass639.345459 Da
  • ChemSpider ID8524635

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Ethyl N-({(1S,2S,4R)-1-[(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl}carbamoyl)-N-[3-(1H-imidazol-1-yl)propyl]glycinate [ACD/IUPAC Name]
Ethyl-N-({(1S,2S,4R)-1-[(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl}carbamoyl)-N-[3-(1H-imidazol-1-yl)propyl]glycinat [German] [ACD/IUPAC Name]
Glycine, N-[[[(1S,2S,4R)-1-[[(2,3-dihydrospiro[1H-indene-1,4'-piperidin]-1'-yl)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl]amino]carbonyl]-N-[3-(1H-imidazol-1-yl)propyl]-, ethyl ester [ACD/Index Name]
N-({(1S,2S,4R)-1-[(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)méthyl]-7,7-diméthylbicyclo[2.2.1]hept-2-yl}carbamoyl)-N-[3-(1H-imidazol-1-yl)propyl]glycinate d'éthyle [French] [ACD/IUPAC Name]

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: 1.646
Molar Refractivity: 175.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 133.37
ACD/KOC (pH 5.5): 451.99
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2666.90
ACD/KOC (pH 7.4): 9038.01
Polar Surface Area: 122 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 484.3±7.0 cm3

Click to predict properties on the Chemicalize site


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