ChemSpider 2D Image | 3-Amino-N-[(2S)-3-cyclohexyl-1-{[(2S,3S)-3-methyl-1-oxo-1-(1'H-spiro[indene-1,4'-piperidin]-1'-yl)-2-pentanyl]amino}-1-oxo-2-propanyl]-1,2-oxazole-5-carboxamide | C32H43N5O4

3-Amino-N-[(2S)-3-cyclohexyl-1-{[(2S,3S)-3-methyl-1-oxo-1-(1'H-spiro[indene-1,4'-piperidin]-1'-yl)-2-pentanyl]amino}-1-oxo-2-propanyl]-1,2-oxazole-5-carboxamide

  • Molecular FormulaC32H43N5O4
  • Average mass561.715 Da
  • Monoisotopic mass561.331482 Da
  • ChemSpider ID76822763

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-Amino-N-[(2S)-3-cyclohexyl-1-{[(2S,3S)-3-methyl-1-oxo-1-(1'H-spiro[indene-1,4'-piperidin]-1'-yl)-2-pentanyl]amino}-1-oxo-2-propanyl]-1,2-oxazol-5-carboxamid [German] [ACD/IUPAC Name]
3-Amino-N-[(2S)-3-cyclohexyl-1-{[(2S,3S)-3-methyl-1-oxo-1-(1'H-spiro[indene-1,4'-piperidin]-1'-yl)-2-pentanyl]amino}-1-oxo-2-propanyl]-1,2-oxazole-5-carboxamide [ACD/IUPAC Name]
3-Amino-N-[(2S)-3-cyclohexyl-1-{[(2S,3S)-3-méthyl-1-oxo-1-(1'H-spiro[indene-1,4'-piperidin]-1'-yl)-2-pentanyl]amino}-1-oxo-2-propanyl]-1,2-oxazole-5-carboxamide [French] [ACD/IUPAC Name]
5-Isoxazolecarboxamide, 3-amino-N-[(1S)-1-(cyclohexylmethyl)-2-[[(1S,2S)-2-methyl-1-(spiro[1H-indene-1,4'-piperidin]-1'-ylcarbonyl)butyl]amino]-2-oxoethyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 838.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.8±3.0 kJ/mol
Flash Point: 460.7±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 157.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 976.49
ACD/KOC (pH 5.5): 4803.93
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 976.51
ACD/KOC (pH 7.4): 4804.02
Polar Surface Area: 131 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 452.7±5.0 cm3

Click to predict properties on the Chemicalize site


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