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}-1-(1H-imidazol-4-ylmethyl)imidazolidine-2,4-dione | C30H39N5O4S

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}-1-(1H-imidazol-4-ylmethyl)imidazolidine-2,4-dione

  • Molecular FormulaC30H39N5O4S
  • Average mass565.727 Da
  • Monoisotopic mass565.272278 Da
  • ChemSpider ID8546142

  • defined stereocentres - 3 of 3 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]-1-(1H-imidazol-5-ylmethyl)- [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}-1-(1H-imidazol-4-ylmethyl)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}-1-(1H-imidazol-5-ylmethyl)-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}-1-(1H-imidazol-5-ylmethyl)-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}-1-(1H-imidazol-5-ylméthyl)-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]-1-(1H-4-imidazolylmethyl)tetrahydro-1H-2,4-imidazoledione

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

Density: 1.4±0.1 g/cm3
Boiling Point: 743.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 403.2±35.7 °C
Index of Refraction: 1.671
Molar Refractivity: 150.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 17.69
ACD/KOC (pH 5.5): 125.36
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 227.60
ACD/KOC (pH 7.4): 1612.77
Polar Surface Area: 115 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 73.3±5.0 dyne/cm
Molar Volume: 403.4±5.0 cm3

Click to predict properties on the Chemicalize site


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