Found 142 results

Search term: MF = 'C_{30}H_{39}N_{5}O_{4}S'
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-(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}-5-(1H-imidazol-4-ylmethyl)imidazolidine-2,4-dione

  • Molecular FormulaC30H39N5O4S
  • Average mass565.727 Da
  • Monoisotopic mass565.272278 Da
  • ChemSpider ID8523386

  • 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-(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}-5-(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}-5-(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}-5-(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}-5-(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]-5-(1H-4-imidazolylmethyl)tetrahydro-1H-2,4-imidazoledione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL341289/

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 17.70
ACD/KOC (pH 5.5): 103.21
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 305.96
ACD/KOC (pH 7.4): 1784.05
Polar Surface Area: 124 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 72.0±5.0 dyne/cm
Molar Volume: 405.2±5.0 cm3

Click to predict properties on the Chemicalize site


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