ChemSpider 2D Image | 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}-5-hydroxynorvalinamide | C28H43N3O4S

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}-5-hydroxynorvalinamide

  • Molecular FormulaC28H43N3O4S
  • Average mass517.724 Da
  • Monoisotopic mass517.297424 Da
  • ChemSpider ID23208624

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

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}-5-hydroxynorvalinamid [German] [ACD/IUPAC Name]
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}-5-hydroxynorvalinamide [ACD/IUPAC 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}-5-hydroxynorvalinamide [French] [ACD/IUPAC Name]
Pentanamide, 2-amino-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]-5-hydroxy- [ACD/Index Name]
1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-amino-5-hydroxypentanamide

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: 1.616
Molar Refractivity: 142.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 1.10
ACD/KOC (pH 5.5): 9.34
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 51.05
ACD/KOC (pH 7.4): 433.05
Polar Surface Area: 121 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 406.6±5.0 cm3

Click to predict properties on the Chemicalize site


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