Found 11 results

Search term: MF = 'C_{33}H_{36}Cl_{2}N_{2}O_{6}S'
ChemSpider 2D Image | {(5R)-5-(3,4-Dichlorophenyl)-5-[2-(1-oxido-1'H-spiro[1-benzothiophene-3,4'-piperidin]-1'-yl)ethyl]-1,3-oxazolidin-3-yl}(3,4,5-trimethoxyphenyl)methanone | C33H36Cl2N2O6S

{(5R)-5-(3,4-Dichlorophenyl)-5-[2-(1-oxido-1'H-spiro[1-benzothiophene-3,4'-piperidin]-1'-yl)ethyl]-1,3-oxazolidin-3-yl}(3,4,5-trimethoxyphenyl)methanone

  • Molecular FormulaC33H36Cl2N2O6S
  • Average mass659.620 Da
  • Monoisotopic mass658.167114 Da
  • ChemSpider ID24683765

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

{(5R)-5-(3,4-Dichlorophenyl)-5-[2-(1-oxido-1'H-spiro[1-benzothiophene-3,4'-piperidin]-1'-yl)ethyl]-1,3-oxazolidin-3-yl}(3,4,5-trimethoxyphenyl)methanone [ACD/IUPAC Name]
{(5R)-5-(3,4-Dichlorophényl)-5-[2-(1-oxydo-1'H-spiro[1-benzothiophene-3,4'-piperidin]-1'-yl)éthyl]-1,3-oxazolidin-3-yl}(3,4,5-triméthoxyphényl)méthanone [French] [ACD/IUPAC Name]
{(5R)-5-(3,4-Dichlorphenyl)-5-[2-(1-oxido-1'H-spiro[1-benzothiophene-3,4'-piperidin]-1'-yl)ethyl]-1,3-oxazolidin-3-yl}(3,4,5-trimethoxyphenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [(5R)-5-(3,4-dichlorophenyl)-5-[2-(1-oxidospiro[benzo[b]thiophene-3(2H),4'-piperidin]-1'-yl)ethyl]-3-oxazolidinyl](3,4,5-trimethoxyphenyl)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL354731/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 824.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 452.2±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 172.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 4.45
ACD/KOC (pH 5.5): 14.15
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 70.88
ACD/KOC (pH 7.4): 225.66
Polar Surface Area: 97 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 460.2±5.0 cm3

Click to predict properties on the Chemicalize site


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