ChemSpider 2D Image | Dimethyl 3,3'-{[(4S,5R)-4-[(1S)-1-hydroxy-2-phenylethyl]-2-oxo-5-(2-phenylethyl)-1,3-imidazolidinediyl]bis(methylene)}dibenzoate | C37H38N2O6

Dimethyl 3,3'-{[(4S,5R)-4-[(1S)-1-hydroxy-2-phenylethyl]-2-oxo-5-(2-phenylethyl)-1,3-imidazolidinediyl]bis(methylene)}dibenzoate

  • Molecular FormulaC37H38N2O6
  • Average mass606.707 Da
  • Monoisotopic mass606.273010 Da
  • ChemSpider ID411576

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3,3'-{[(4S,5R)-4-[(1S)-1-Hydroxy-2-phényléthyl]-2-oxo-5-(2-phényléthyl)-1,3-imidazolidinediyl]diméthylène}dibenzoate de diméthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,3'-[[(4S,5R)-4-[(1S)-1-hydroxy-2-phenylethyl]-2-oxo-5-(2-phenylethyl)-1,3-imidazolidinediyl]bis(methylene)]bis-, dimethyl ester [ACD/Index Name]
Dimethyl 3,3'-{[(4S,5R)-4-[(1S)-1-hydroxy-2-phenylethyl]-2-oxo-5-(2-phenylethyl)-1,3-imidazolidinediyl]bis(methylene)}dibenzoate [ACD/IUPAC Name]
Dimethyl-3,3'-{[(4S,5R)-4-[(1S)-1-hydroxy-2-phenylethyl]-2-oxo-5-(2-phenylethyl)-1,3-imidazolidindiyl]dimethylen}dibenzoat [German] [ACD/IUPAC Name]
(4S,5R)-1,3-Bis-(3-methoxycarbonyl-benzyl)-4-((S)-1-hydroxy-2-phenyl-ethyl)-5-phenethyl-imidazolidin-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL358558/
Methyl 3-[(4-((1R)-1-hydroxy-2-phenylethyl)(4S,5R)-3-{[3-(methoxycarbonyl)phenyl]methyl}-2-oxo-5-(2-phenylethyl)imidazolidinyl)methyl]benzoate

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

AIDS058348 [DBID]
AIDS-058348 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 768.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 418.6±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 172.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.57
ACD/LogD (pH 5.5): 6.69
ACD/BCF (pH 5.5): 71023.53
ACD/KOC (pH 5.5): 103327.16
ACD/LogD (pH 7.4): 6.69
ACD/BCF (pH 7.4): 71023.53
ACD/KOC (pH 7.4): 103327.16
Polar Surface Area: 96 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 491.8±3.0 cm3

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