Found 11 results

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

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

  • Molecular FormulaC33H36Cl2N2O6S
  • Average mass659.620 Da
  • Monoisotopic mass658.167114 Da
  • ChemSpider ID9471751

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

{(2R)-2-(3,4-Dichlorophenyl)-2-[2-(2-oxido-1'H,3H-spiro[2-benzothiophene-1,4'-piperidin]-1'-yl)ethyl]-4-morpholinyl}(3-hydroxy-4,5-dimethoxyphenyl)methanone [ACD/IUPAC Name]
{(2R)-2-(3,4-Dichlorophényl)-2-[2-(2-oxydo-1'H,3H-spiro[2-benzothiophene-1,4'-piperidin]-1'-yl)éthyl]-4-morpholinyl}(3-hydroxy-4,5-diméthoxyphényl)méthanone [French] [ACD/IUPAC Name]
{(2R)-2-(3,4-Dichlorphenyl)-2-[2-(2-oxido-1'H,3H-spiro[2-benzothiophene-1,4'-piperidin]-1'-yl)ethyl]-4-morpholinyl}(3-hydroxy-4,5-dimethoxyphenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [(2R)-2-(3,4-dichlorophenyl)-2-[2-(2-oxidospiro[benzo[c]thiophene-1(3H),4'-piperidin]-1'-yl)ethyl]-4-morpholinyl](3-hydroxy-4,5-dimethoxyphenyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 870.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.8±3.0 kJ/mol
Flash Point: 480.1±34.3 °C
Index of Refraction: 1.691
Molar Refractivity: 172.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 4.00
ACD/KOC (pH 5.5): 14.60
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 134.10
ACD/KOC (pH 7.4): 489.08
Polar Surface Area: 108 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 75.9±5.0 dyne/cm
Molar Volume: 451.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement