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Search term: MGQZHWBYKGXMDX-RDJZCZTQSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3S,6S)-4-{[4-(2-Butyn-1-yloxy)phenyl]sulfonyl}-N-hydroxy-6-(2-hydroxyethyl)-2,2-dimethyl-3-thiomorpholinecarboxamide | C19H26N2O6S2

(3S,6S)-4-{[4-(2-Butyn-1-yloxy)phenyl]sulfonyl}-N-hydroxy-6-(2-hydroxyethyl)-2,2-dimethyl-3-thiomorpholinecarboxamide

  • Molecular FormulaC19H26N2O6S2
  • Average mass442.549 Da
  • Monoisotopic mass442.123230 Da
  • ChemSpider ID23268203

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,6S)-4-{[4-(2-Butin-1-yloxy)phenyl]sulfonyl}-N-hydroxy-6-(2-hydroxyethyl)-2,2-dimethyl-3-thiomorpholincarboxamid [German] [ACD/IUPAC Name]
(3S,6S)-4-{[4-(2-Butyn-1-yloxy)phenyl]sulfonyl}-N-hydroxy-6-(2-hydroxyethyl)-2,2-dimethyl-3-thiomorpholinecarboxamide [ACD/IUPAC Name]
(3S,6S)-4-{[4-(2-Butyn-1-yloxy)phényl]sulfonyl}-N-hydroxy-6-(2-hydroxyéthyl)-2,2-diméthyl-3-thiomorpholinecarboxamide [French] [ACD/IUPAC Name]
(3S,6S)-4-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-N-hydroxy-6-(2-hydroxyethyl)-2,2-dimethylthiomorpholine-3-carboxamide
3-Thiomorpholinecarboxamide, 4-[[4-(2-butyn-1-yloxy)phenyl]sulfonyl]-N-hydroxy-6-(2-hydroxyethyl)-2,2-dimethyl-, (3S,6S)- [ACD/Index Name]
(3S,6S)-4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-6-(2-hydroxyethyl)-2,2-dimethylthiomorpholine-3-carboxamide
CHEMBL381554
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL381554/

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: 1.583
Molar Refractivity: 112.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.60
ACD/KOC (pH 5.5): 225.39
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.41
ACD/KOC (pH 7.4): 222.26
Polar Surface Area: 150 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 335.6±3.0 cm3

Click to predict properties on the Chemicalize site


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