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Search term: FZWMAJYKWJFEHI-RTWAWAEBSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-Chloro-2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(1-piperidinylsulfonyl)-3,4-dihydro-2H-chromen-4-yl]-1,2-benzoxazol-3(2H)-one | C23H25ClN2O6S

6-Chloro-2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(1-piperidinylsulfonyl)-3,4-dihydro-2H-chromen-4-yl]-1,2-benzoxazol-3(2H)-one

  • Molecular FormulaC23H25ClN2O6S
  • Average mass492.972 Da
  • Monoisotopic mass492.112183 Da
  • ChemSpider ID23335223

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,2-Benzisoxazol-3(2H)-one, 6-chloro-2-[(3S,4R)-3,4-dihydro-3-hydroxy-2,2-dimethyl-6-(1-piperidinylsulfonyl)-2H-1-benzopyran-4-yl]- [ACD/Index Name]
6-Chlor-2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(1-piperidinylsulfonyl)-3,4-dihydro-2H-chromen-4-yl]-1,2-benzoxazol-3(2H)-on [German] [ACD/IUPAC Name]
6-Chloro-2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(1-piperidinylsulfonyl)-3,4-dihydro-2H-chromen-4-yl]-1,2-benzoxazol-3(2H)-one [ACD/IUPAC Name]
6-Chloro-2-[(3S,4R)-3-hydroxy-2,2-diméthyl-6-(1-pipéridinylsulfonyl)-3,4-dihydro-2H-chromén-4-yl]-1,2-benzoxazol-3(2H)-one [French] [ACD/IUPAC Name]
(3S,4R)-6-Chloro-2-[3-hydroxy-2,2-dimethyl-6-(piperidine-1-sulfonyl)-chroman-4-yl]-benzo[d] isoxazol-3-one
6-chloro-2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(piperidin-1-ylsulfonyl)-3,4-dihydro-2H-chromen-4-yl]-1,2-benzoxazol-3(2H)-one
CHEMBL523312
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL523312/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 646.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 344.5±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 122.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 754.70
ACD/KOC (pH 5.5): 3994.95
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 754.70
ACD/KOC (pH 7.4): 3994.94
Polar Surface Area: 105 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 340.8±3.0 cm3

Click to predict properties on the Chemicalize site


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