ChemSpider 2D Image | AS604872 | C28H25N3O3S2

AS604872

  • Molecular FormulaC28H25N3O3S2
  • Average mass515.646 Da
  • Monoisotopic mass515.133728 Da
  • ChemSpider ID8328036

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-3-(4-Biphenylylsulfonyl)-N-[(R)-phenyl(2-pyridinyl)methyl]-1,3-thiazolidin-2-carboxamid [German] [ACD/IUPAC Name]
(2S)-3-(4-Biphenylylsulfonyl)-N-[(R)-phenyl(2-pyridinyl)methyl]-1,3-thiazolidine-2-carboxamide [ACD/IUPAC Name]
(2S)-3-(4-Biphénylylsulfonyl)-N-[(R)-phényl(2-pyridinyl)méthyl]-1,3-thiazolidine-2-carboxamide [French] [ACD/IUPAC Name]
2-Thiazolidinecarboxamide, 3-([1,1'-biphenyl]-4-ylsulfonyl)-N-[(R)-phenyl-2-pyridinylmethyl]-, (2S)- [ACD/Index Name]
AS604872
(2S)-3-(4-phenylphenyl)sulfonyl-N-[(R)-phenyl(pyridin-2-yl)methyl]-1,3-thiazolidine-2-carboxamide
(2S)-3-(4-phenylphenyl)sulfonyl-N-[(R)-phenyl-pyridin-2-ylmethyl]-1,3-thiazolidine-2-carboxamide
612532-48-6 [RN]
AS 604872
AS 604872|AS-604872
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.662
Molar Refractivity: 144.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1900.20
ACD/KOC (pH 5.5): 7580.44
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2039.69
ACD/KOC (pH 7.4): 8136.92
Polar Surface Area: 113 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 389.6±3.0 cm3

Click to predict properties on the Chemicalize site


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