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-(2-oxido-1'H,3H-spiro[2-benzothiophene-1,4'-piperidin]-1'-yl)ethyl]-1,3-oxazolidin-3-yl}(3,4,5-trimethoxyphenyl)methanone | C33H36Cl2N2O6S

{(5R)-5-(3,4-Dichlorophenyl)-5-[2-(2-oxido-1'H,3H-spiro[2-benzothiophene-1,4'-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 ID8028377

  • 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-(2-oxido-1'H,3H-spiro[2-benzothiophene-1,4'-piperidin]-1'-yl)ethyl]-1,3-oxazolidin-3-yl}(3,4,5-trimethoxyphenyl)methanone [ACD/IUPAC Name]
{(5R)-5-(3,4-Dichlorophényl)-5-[2-(2-oxydo-1'H,3H-spiro[2-benzothiophene-1,4'-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-(2-oxido-1'H,3H-spiro[2-benzothiophene-1,4'-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-(2-oxidospiro[benzo[c]thiophene-1(3H),4'-piperidin]-1'-yl)ethyl]-3-oxazolidinyl](3,4,5-trimethoxyphenyl)- [ACD/Index Name]
[(R)-5-(3,4-Dichloro-phenyl)-5-ethyl-3H-spiro[2-benzothiophene-1,4'-piperidine]2-oxide-oxazolidin-3-yl]-(3,4,5-trimethoxy-phenyl)-methanone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 837.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.7±3.0 kJ/mol
Flash Point: 460.1±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: 5.75
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 9.05
ACD/KOC (pH 5.5): 26.29
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 314.87
ACD/KOC (pH 7.4): 915.18
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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