ChemSpider 2D Image | (2R,4S)-2-{(1R)-1-[(2-Ethoxy-1-naphthoyl)amino]-2-oxoethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | C21H24N2O5S

(2R,4S)-2-{(1R)-1-[(2-Ethoxy-1-naphthoyl)amino]-2-oxoethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC21H24N2O5S
  • Average mass416.491 Da
  • Monoisotopic mass416.140594 Da
  • ChemSpider ID26328250
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2r,4s)-2-[(1r)-1-{[(2-Ethoxynaphthalen-1-Yl)carbonyl]amino}-2-Oxoethyl]-5,5-Dimethyl-1,3-Thiazolidine-4-Carboxylic Acid
(2R,4S)-2-{(1R)-1-[(2-Ethoxy-1-naphthoyl)amino]-2-oxoethyl}-5,5-dimethyl-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(2R,4S)-2-{(1R)-1-[(2-Ethoxy-1-naphthoyl)amino]-2-oxoethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 2-[(1R)-1-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-2-oxoethyl]-5,5-dimethyl-, (2R,4S)- [ACD/Index Name]
Acide (2R,4S)-2-{(1R)-1-[(2-éthoxy-1-naphtoyl)amino]-2-oxoéthyl}-5,5-diméthyl-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 680.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 365.1±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 112.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.20
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 327.2±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement