Found 83 results

Search term: MF = 'C_{35}H_{38}N_{2}O_{5}S'
ChemSpider 2D Image | 5-(4-{[(2S)-1-{[5-(Benzyloxy)-2,4,6,7-tetramethyl-1-benzofuran-3-yl]methyl}-2-pyrrolidinyl]methoxy}benzyl)-1,3-thiazolidine-2,4-dione | C35H38N2O5S

5-(4-{[(2S)-1-{[5-(Benzyloxy)-2,4,6,7-tetramethyl-1-benzofuran-3-yl]methyl}-2-pyrrolidinyl]methoxy}benzyl)-1,3-thiazolidine-2,4-dione

  • Molecular FormulaC35H38N2O5S
  • Average mass598.752 Da
  • Monoisotopic mass598.250122 Da
  • ChemSpider ID8802742

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2,4-Thiazolidinedione, 5-[[4-[[(2S)-1-[[2,4,6,7-tetramethyl-5-(phenylmethoxy)-3-benzofuranyl]methyl]-2-pyrrolidinyl]methoxy]phenyl]methyl]- [ACD/Index Name]
5-(4-{[(2S)-1-{[5-(Benzyloxy)-2,4,6,7-tetramethyl-1-benzofuran-3-yl]methyl}-2-pyrrolidinyl]methoxy}benzyl)-1,3-thiazolidin-2,4-dion [German] [ACD/IUPAC Name]
5-(4-{[(2S)-1-{[5-(Benzyloxy)-2,4,6,7-tetramethyl-1-benzofuran-3-yl]methyl}-2-pyrrolidinyl]methoxy}benzyl)-1,3-thiazolidine-2,4-dione [ACD/IUPAC Name]
5-(4-{[(2S)-1-{[5-(Benzyloxy)-2,4,6,7-tétraméthyl-1-benzofuran-3-yl]méthyl}-2-pyrrolidinyl]méthoxy}benzyl)-1,3-thiazolidine-2,4-dione [French] [ACD/IUPAC Name]
5-{4-[(S)-1-(5-Benzyloxy-2,4,6,7-tetramethyl-benzofuran-3-ylmethyl)-pyrrolidin-2-ylmethoxy]-benzyl}-thiazolidine-2,4-dione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL299042/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 754.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 410.0±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 171.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.16
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 77.54
ACD/KOC (pH 5.5): 133.87
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 369.28
ACD/KOC (pH 7.4): 637.52
Polar Surface Area: 106 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 480.3±3.0 cm3

Click to predict properties on the Chemicalize site


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