ChemSpider 2D Image | L-796568 FREE BASE | C31H27F3N4O3S2

L-796568 FREE BASE

  • Molecular FormulaC31H27F3N4O3S2
  • Average mass624.696 Da
  • Monoisotopic mass624.147644 Da
  • ChemSpider ID2302064

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

211031-01-5 [RN]
Benzenesulfonamide, N-[4-[2-[[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]-4-[4-[4-(trifluoromethyl)phenyl]-2-thiazolyl]- [ACD/Index Name]
L-796568 FREE BASE
N-[4-(2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]amino}ethyl)phenyl]-4-{4-[4-(trifluormethyl)phenyl]-1,3-thiazol-2-yl}benzolsulfonamid [German] [ACD/IUPAC Name]
N-[4-(2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]amino}ethyl)phenyl]-4-{4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}benzenesulfonamide [ACD/IUPAC Name]
N-[4-(2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)éthyl]amino}éthyl)phényl]-4-{4-[4-(trifluorométhyl)phényl]-1,3-thiazol-2-yl}benzènesulfonamide [French] [ACD/IUPAC Name]
N-[4-(2-{[(2R)-2-hydroxy-2-(pyridin-3-yl)ethyl]amino}ethyl)phenyl]-4-{4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}benzenesulfonamide
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-4-(4-(4-(trifluoromethyl)phenyl)thiazol-2-yl)benzenesulfonamide
CHEMBL111201
L-796568
More...

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

P50A5YTO0O [DBID]
UNII:P50A5YTO0O [DBID]
UNII-P50A5YTO0O [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: 796.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.5±3.0 kJ/mol
Flash Point: 435.4±35.7 °C
Index of Refraction: 1.628
Molar Refractivity: 160.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 13.98
ACD/KOC (pH 5.5): 37.14
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 560.83
ACD/KOC (pH 7.4): 1489.83
Polar Surface Area: 141 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 452.2±3.0 cm3

Click to predict properties on the Chemicalize site


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