ChemSpider 2D Image | GW0072 | C37H46N2O4S

GW0072

  • Molecular FormulaC37H46N2O4S
  • Average mass614.837 Da
  • Monoisotopic mass614.317810 Da
  • ChemSpider ID396033
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

4-(4-{(2S,5S)-5-[2-(Dibenzylamino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl}butyl)benzoesäure [German] [ACD/IUPAC Name]
4-(4-{(2S,5S)-5-[2-(Dibenzylamino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl}butyl)benzoic acid [ACD/IUPAC Name]
Acide 4-(4-{(2S,5S)-5-[2-(dibenzylamino)-2-oxoéthyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl}butyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[4-[(2S,5S)-5-[2-[bis(phenylmethyl)amino]-2-oxoethyl]-2-heptyl-4-oxo-3-thiazolidinyl]butyl]- [ACD/Index Name]
GW0072
(±)(2s,5s)-3-(4-(4-Carboxyphenyl)butyl)-2-Heptyl-4-Oxo-5-Thiazolidine
(±)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-2-HEPTYL-4-OXO-5-THIAZOLIDINE
072
4-(4-(4-carboxyphenyl)butyl)-2-heptyl-4-oxo-5-thiazolidine-N,N-dibenzylacetamide
4-[4-[(2S,5S)-5-[2-(bis(phenylmethyl)amino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl]butyl]benzoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 814.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.1±3.0 kJ/mol
Flash Point: 446.1±34.3 °C
Index of Refraction: 1.584
Molar Refractivity: 179.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 8.74
ACD/LogD (pH 5.5): 7.70
ACD/BCF (pH 5.5): 217646.83
ACD/KOC (pH 5.5): 106078.56
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 5252.91
ACD/KOC (pH 7.4): 2560.21
Polar Surface Area: 103 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 536.0±3.0 cm3

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