ChemSpider 2D Image | (S)-sabeluzole | C22H26FN3O2S

(S)-sabeluzole

  • Molecular FormulaC22H26FN3O2S
  • Average mass415.524 Da
  • Monoisotopic mass415.172974 Da
  • ChemSpider ID52085124

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-{4-[1,3-Benzothiazol-2-yl(methyl)amino]-1-piperidinyl}-3-(4-fluorophenoxy)-2-propanol [ACD/IUPAC Name]
(2S)-1-{4-[1,3-Benzothiazol-2-yl(méthyl)amino]-1-pipéridinyl}-3-(4-fluorophénoxy)-2-propanol [French] [ACD/IUPAC Name]
(2S)-1-{4-[1,3-Benzothiazol-2-yl(methyl)amino]-1-piperidinyl}-3-(4-fluorphenoxy)-2-propanol [German] [ACD/IUPAC Name]
(S)-sabeluzole
104712-64-3 [RN]
1-Piperidineethanol, 4-(2-benzothiazolylmethylamino)-α-[(4-fluorophenoxy)methyl]-, (αS)- [ACD/Index Name]
SABELUZOLE, (S)-

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

4K6V9R4676 [DBID]
UNII:4K6V9R4676 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 577.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 303.0±32.9 °C
Index of Refraction: 1.643
Molar Refractivity: 116.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 5.30
ACD/KOC (pH 5.5): 25.09
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 273.57
ACD/KOC (pH 7.4): 1295.13
Polar Surface Area: 77 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 322.4±3.0 cm3

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