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

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

  • Molecular FormulaC32H37N3O5S
  • Average mass575.718 Da
  • Monoisotopic mass575.245361 Da
  • ChemSpider ID71360720

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

3-{(2S)-2-Hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidin-4-carboxamid [German] [ACD/IUPAC Name]
3-{(2S)-2-Hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide [ACD/IUPAC Name]
3-{(2S)-2-Hydroxy-3-[(3-hydroxy-2-méthylbenzoyl)amino]-4-phénylbutanoyl}-5,5-diméthyl-N-(2-méthylbenzyl)-1,3-thiazolidine-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolidinecarboxamide, 3-[(2S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-1-oxo-4-phenylbutyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]- [ACD/Index Name]
186538-00-1 [RN]
JE-2147, AG1776, KNI-764

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

Density: 1.3±0.1 g/cm3
Boiling Point: 861.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.2±3.0 kJ/mol
Flash Point: 474.8±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 161.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 882.48
ACD/KOC (pH 5.5): 4468.13
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 875.77
ACD/KOC (pH 7.4): 4434.12
Polar Surface Area: 144 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 457.4±3.0 cm3

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