Found 1 result

Search term: OINNSETUQQXMNK-UXHICEINSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3S,4R)-4-(5-Chloro-3-oxo-1,2-benzoxazol-2(3H)-yl)-N,N-diethyl-3-hydroxy-2,2-dimethyl-6-chromanesulfonamide | C22H25ClN2O6S

(3S,4R)-4-(5-Chloro-3-oxo-1,2-benzoxazol-2(3H)-yl)-N,N-diethyl-3-hydroxy-2,2-dimethyl-6-chromanesulfonamide

  • Molecular FormulaC22H25ClN2O6S
  • Average mass480.962 Da
  • Monoisotopic mass480.112183 Da
  • ChemSpider ID23335224

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R)-4-(5-Chlor-3-oxo-1,2-benzoxazol-2(3H)-yl)-N,N-diethyl-3-hydroxy-2,2-dimethyl-6-chromansulfonamid [German] [ACD/IUPAC Name]
(3S,4R)-4-(5-Chloro-3-oxo-1,2-benzoxazol-2(3H)-yl)-N,N-diethyl-3-hydroxy-2,2-dimethyl-6-chromanesulfonamide [ACD/IUPAC Name]
(3S,4R)-4-(5-Chloro-3-oxo-1,2-benzoxazol-2(3H)-yl)-N,N-diéthyl-3-hydroxy-2,2-diméthyl-6-chromanesulfonamide [French] [ACD/IUPAC Name]
2H-1-Benzopyran-6-sulfonamide, 4-(5-chloro-3-oxo-1,2-benzisoxazol-2(3H)-yl)-N,N-diethyl-3,4-dihydro-3-hydroxy-2,2-dimethyl-, (3S,4R)- [ACD/Index Name]
(3S,4R)-(5-Chloro-3-oxo-3H-benzo[d]isoxazol-2-yl)-3-hydroxy-2,2-dimethyl-chroman-6-sulfonic acid diethylamide
(3S,4R)-4-(5-chloro-3-oxo-1,2-benzoxazol-2(3H)-yl)-N,N-diethyl-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromene-6-sulfonamide
CHEMBL491479
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL491479/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 621.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 329.6±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 120.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 524.64
ACD/KOC (pH 5.5): 3079.49
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 524.64
ACD/KOC (pH 7.4): 3079.48
Polar Surface Area: 105 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 344.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement