ChemSpider 2D Image | (2R,4S)-2-[(1S)-1-({[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | C19H20ClN3O5S

(2R,4S)-2-[(1S)-1-({[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC19H20ClN3O5S
  • Average mass437.897 Da
  • Monoisotopic mass437.081207 Da
  • ChemSpider ID26326473

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,4S)-2-[(1S)-1-({[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
(2R,4S)-2-[(1S)-1-({[3-(2-Chlorphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 2-[(1S)-1-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-2-oxoethyl]-5,5-dimethyl-, (2R,4S)- [ACD/Index Name]
Acide (2R,4S)-2-[(1S)-1-({[3-(2-chlorophényl)-5-méthyl-1,2-oxazol-4-yl]carbonyl}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, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 656.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 350.9±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 108.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.10
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 322.1±3.0 cm3

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