ChemSpider 2D Image | (4R)-3-{(3S)-1-Hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-2-oxo-4-phenylbutyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide | C32H37N3O5S

(4R)-3-{(3S)-1-Hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-2-oxo-4-phenylbutyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide

  • Molecular FormulaC32H37N3O5S
  • Average mass575.718 Da
  • Monoisotopic mass575.245361 Da
  • ChemSpider ID4450774

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4R)-3-{(3S)-1-Hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-2-oxo-4-phenylbutyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidin-4-carboxamid [German] [ACD/IUPAC Name]
(4R)-3-{(3S)-1-Hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-2-oxo-4-phenylbutyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide [ACD/IUPAC Name]
(4R)-3-{(3S)-1-Hydroxy-3-[(3-hydroxy-2-méthylbenzoyl)amino]-2-oxo-4-phénylbutyl}-5,5-diméthyl-N-(2-méthylbenzyl)-1,3-thiazolidine-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolidinecarboxamide, 3-[(3S)-1-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-2-oxo-4-phenylbutyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-, (4R)- [ACD/Index Name]
3-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL-BUTYRYL]-5,5- DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID 2-METHYL-BENZYLAMIDE
K64

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

Density: 1.3±0.1 g/cm3
Boiling Point: 800.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 437.9±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 161.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.72
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4309.48
ACD/KOC (pH 5.5): 13902.75
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 4278.28
ACD/KOC (pH 7.4): 13802.07
Polar Surface Area: 144 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 458.5±3.0 cm3

Click to predict properties on the Chemicalize site


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