ChemSpider 2D Image | 1,3-Thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-methylbutanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamate | C28H35N3O3S

1,3-Thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-methylbutanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamate

  • Molecular FormulaC28H35N3O3S
  • Average mass493.661 Da
  • Monoisotopic mass493.239899 Da
  • ChemSpider ID34522350
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

[(2R,5R)-5-{[(2S)-2-Méthylbutanoyl]amino}-1,6-diphényl-2-hexanyl]carbamate de 1,3-thiazol-5-ylméthyle [French] [ACD/IUPAC Name]
1,3-Thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-methylbutanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamate [ACD/IUPAC Name]
1,3-Thiazol-5-Ylmethyl [(2r,5r)-5-{[(2s)-2-Methylbutanoyl]amino}-1,6-Diphenylhexan-2-Yl]carbamate
1,3-Thiazol-5-ylmethyl-[(2R,5R)-5-{[(2S)-2-methylbutanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1R,4R)-4-[[(2S)-2-methyl-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester [ACD/Index Name]
8AW

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

Density: 1.2±0.1 g/cm3
Boiling Point: 715.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.2±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 141.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1930.63
ACD/KOC (pH 5.5): 7824.66
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1931.08
ACD/KOC (pH 7.4): 7826.51
Polar Surface Area: 109 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 427.3±3.0 cm3

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