ChemSpider 2D Image | (4R)-3-[(2S,3S)-3-{[(2,6-Dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylphenyl)-1,3-thiazolidine-4-carboxamide | C33H39N3O5S

(4R)-3-[(2S,3S)-3-{[(2,6-Dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylphenyl)-1,3-thiazolidine-4-carboxamide

  • Molecular FormulaC33H39N3O5S
  • Average mass589.745 Da
  • Monoisotopic mass589.261047 Da
  • ChemSpider ID426625

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R)-3-[(2S,3S)-3-{[(2,6-Dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylphenyl)-1,3-thiazolidin-4-carboxamid [German] [ACD/IUPAC Name]
(4R)-3-[(2S,3S)-3-{[(2,6-Dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylphenyl)-1,3-thiazolidine-4-carboxamide [ACD/IUPAC Name]
(4R)-3-[(2S,3S)-3-{[2-(2,6-Diméthylphénoxy)acétyl]amino}-2-hydroxy-4-phénylbutanoyl]-5,5-diméthyl-N-(2-méthylphényl)-1,3-thiazolidine-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolidinecarboxamide, 3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-5,5-dimethyl-N-(2-methylphenyl)-, (4R)- [ACD/Index Name]
N-(3-{(4R)-5,5-Dimethyl-4-[N-(2-methylphenyl)carbamoyl](1,3-thiazolidin-3-yl)}(1S,2S)-2-hydroxy-3-oxo-1-benzylpropyl)-2-(2,6-dimethylphenoxy)acetamide

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

AIDS109082 [DBID]
AIDS-109082 [DBID]
KNI-840 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 866.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±3.0 kJ/mol
Flash Point: 477.9±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 166.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6160.23
ACD/KOC (pH 5.5): 17954.79
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6160.40
ACD/KOC (pH 7.4): 17955.31
Polar Surface Area: 133 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 475.7±3.0 cm3

Click to predict properties on the Chemicalize site


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