ChemSpider 2D Image | 3-{(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-isobutyl-2,4-imidazolidinedione | C30H43N3O4S

3-{(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-isobutyl-2,4-imidazolidinedione

  • Molecular FormulaC30H43N3O4S
  • Average mass541.745 Da
  • Monoisotopic mass541.297424 Da
  • ChemSpider ID8205802

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2,4-Imidazolidinedione, 3-[(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-(2-methylpropyl)- [ACD/Index Name]
3-{(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-(2-methylpropyl)imidazolidine-2,4-dione
3-{(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-isobutyl-2,4-imidazolidindion [German] [ACD/IUPAC Name]
3-{(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-isobutyl-2,4-imidazolidinedione [ACD/IUPAC Name]
3-{(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-isobutyl-2,4-imidazolidinedione [French] [ACD/IUPAC Name]
3-[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]-5-isobutyltetrahydro-1H-2,4-imidazoledione

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: 1.617
Molar Refractivity: 148.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8107.83
ACD/KOC (pH 5.5): 21851.36
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7598.40
ACD/KOC (pH 7.4): 20478.40
Polar Surface Area: 95 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 422.9±5.0 cm3

Click to predict properties on the Chemicalize site


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