ChemSpider 2D Image | N,5-Dimethyl-2-{(4R,4'S,4''S)-4,4',4''-trimethyl-2''-[(E)-2-phenylvinyl]-4,4',4'',5,5',5''-hexahydro-2,4':2',4''-ter-1,3-thiazol-4-yl}-1,3-oxazole-4-carboxamide | C26H29N5O2S3

N,5-Dimethyl-2-{(4R,4'S,4''S)-4,4',4''-trimethyl-2''-[(E)-2-phenylvinyl]-4,4',4'',5,5',5''-hexahydro-2,4':2',4''-ter-1,3-thiazol-4-yl}-1,3-oxazole-4-carboxamide

  • Molecular FormulaC26H29N5O2S3
  • Average mass539.736 Da
  • Monoisotopic mass539.148315 Da
  • ChemSpider ID4953604

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-Oxazolecarboxamide, 2-[(4R,4'S,4''S)-4,4',4'',5,5',5''-hexahydro-4,4',4''-trimethyl-2''-[(E)-2-phenylethenyl][2,4':2',4''-terthiazol]-4-yl]-N,5-dimethyl- [ACD/Index Name]
N,5-Dimethyl-2-{(4R,4'S,4''S)-4,4',4''-trimethyl-2''-[(E)-2-phenylvinyl]-4,4',4'',5,5',5''-hexahydro-2,4':2',4''-ter-1,3-thiazol-4-yl}-1,3-oxazol-4-carboxamid [German] [ACD/IUPAC Name]
N,5-Dimethyl-2-{(4R,4'S,4''S)-4,4',4''-trimethyl-2''-[(E)-2-phenylvinyl]-4,4',4'',5,5',5''-hexahydro-2,4':2',4''-ter-1,3-thiazol-4-yl}-1,3-oxazole-4-carboxamide [ACD/IUPAC Name]
N,5-Diméthyl-2-{(4R,4'S,4''S)-4,4',4''-triméthyl-2''-[(E)-2-phénylvinyl]-4,4',4'',5,5',5''-hexahydro-2,4':2',4''-ter-1,3-thiazol-4-yl}-1,3-oxazole-4-carboxamide [French] [ACD/IUPAC Name]
(-)-Thiangazole
138667-71-7 [RN]
4-Oxazolecarboxamide,2-(4,4',4'',5,5',5''-hexahydro-4,4',4''-trimethyl-2''-(2-phenylethenyl)(2,4':2',4''-terthiazol)-4-yl)-N,5-dimethyl-, (4R-(2(2'(2''(E),4''S*),4'S*),4R*))-
4-Oxazolecarboxamide,2-[4,4',4'',5,5',5''-hexahydro-4,4',4''-trimethyl-2''-(2-phenylethenyl)[2,4':2',4''-terthiazol]-4-yl]-N,5-dimethyl-, [4R-[2[2'[2''(E),4''S*],4'S*],4R*]]-
Thiangazole

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

AIDS003366 [DBID]
AIDS-003366 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.702
Molar Refractivity: 151.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 112.04
ACD/KOC (pH 5.5): 1017.30
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 113.03
ACD/KOC (pH 7.4): 1026.28
Polar Surface Area: 168 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 390.6±7.0 cm3

Click to predict properties on the Chemicalize site


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