Found 11 results

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

1'-{2-[(5S)-5-(3,4-Dichlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl}-3H-spiro[2-benzothiophenium-1,4'-piperidin]-2-olate

  • Molecular FormulaC33H36Cl2N2O6S
  • Average mass659.620 Da
  • Monoisotopic mass658.167114 Da
  • ChemSpider ID129165441

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1'-{2-[(5S)-5-(3,4-Dichlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl}-3H-spiro[2-benzothiophenium-1,4'-piperidin]-2-olate [ACD/IUPAC Name]
1'-{2-[(5S)-5-(3,4-Dichlorophényl)-3-(3,4,5-triméthoxybenzoyl)-1,3-oxazolidin-5-yl]éthyl}-3H-spiro[2-benzothiophenium-1,4'-piperidin]-2-olate [French] [ACD/IUPAC Name]
1'-{2-[(5S)-5-(3,4-Dichlorphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl}-3H-spiro[2-benzothiophenium-1,4'-piperidin]-2-olat [German] [ACD/IUPAC Name]
Spiro[benzo[c]thiophenium-1(3H),4'-piperidine], 1'-[2-[(5S)-5-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-5-oxazolidinyl]ethyl]-2-hydroxy-, inner salt [ACD/Index Name]

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: 1.675
Molar Refractivity: 172.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 84 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


Advertisement