ChemSpider 2D Image | N-({(1S,2R,4R)-2-Hydroxy-7,7-dimethyl-1-[(1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]bicyclo[2.2.1]hept-2-yl}methyl)-2-(3-pyridinyl)acetamide | C31H39N3O4S

N-({(1S,2R,4R)-2-Hydroxy-7,7-dimethyl-1-[(1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]bicyclo[2.2.1]hept-2-yl}methyl)-2-(3-pyridinyl)acetamide

  • Molecular FormulaC31H39N3O4S
  • Average mass549.724 Da
  • Monoisotopic mass549.266113 Da
  • ChemSpider ID23208926

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-Pyridineacetamide, N-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-[(spiro[1H-indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]bicyclo[2.2.1]hept-2-yl]methyl]- [ACD/Index Name]
N-({(1S,2R,4R)-2-Hydroxy-7,7-dimethyl-1-[(1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]bicyclo[2.2.1]hept-2-yl}methyl)-2-(3-pyridinyl)acetamid [German] [ACD/IUPAC Name]
N-({(1S,2R,4R)-2-Hydroxy-7,7-dimethyl-1-[(1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]bicyclo[2.2.1]hept-2-yl}methyl)-2-(3-pyridinyl)acetamide [ACD/IUPAC Name]
N-({(1S,2R,4R)-2-Hydroxy-7,7-diméthyl-1-[(1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)méthyl]bicyclo[2.2.1]hept-2-yl}méthyl)-2-(3-pyridinyl)acétamide [French] [ACD/IUPAC Name]
N-({(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-[(1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]bicyclo[2.2.1]hept-2-yl}methyl)-2-(pyridin-3-yl)acetamide
1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]-2-(3-pyridyl)acetamide

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: 1.652
Molar Refractivity: 151.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 258.01
ACD/KOC (pH 5.5): 1770.58
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 302.10
ACD/KOC (pH 7.4): 2073.11
Polar Surface Area: 108 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 414.7±5.0 cm3

Click to predict properties on the Chemicalize site


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