ChemSpider 2D Image | (2R)-1-(4-{[3-(2,4-Dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinyl)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-propanol | C24H25Cl2N5O3S

(2R)-1-(4-{[3-(2,4-Dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinyl)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-propanol

  • Molecular FormulaC24H25Cl2N5O3S
  • Average mass534.458 Da
  • Monoisotopic mass533.105530 Da
  • ChemSpider ID8657643

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-(4-{[3-(2,4-Dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinyl)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-propanol [ACD/IUPAC Name]
(2R)-1-(4-{[3-(2,4-Dichlorophényl)-1,2,4-oxadiazol-5-yl]méthyl}-1-pipérazinyl)-3-[(2-méthyl-1,3-benzothiazol-5-yl)oxy]-2-propanol [French] [ACD/IUPAC Name]
(2R)-1-(4-{[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol
(2R)-1-(4-{[3-(2,4-Dichlorphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinyl)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-propanol [German] [ACD/IUPAC Name]
1-Piperazineethanol, 4-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-α-[[(2-methyl-5-benzothiazolyl)oxy]methyl]-, (αR)- [ACD/Index Name]
(R)-1-{4-[3-(2,4-Dichloro-phenyl)-[1,2,4]oxadiazol-5-ylmethyl]-piperazin-1-yl}-3-(2-methyl-benzothiazol-5-yloxy)-propan-2-ol
CHEMBL186484

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

Density: 1.4±0.1 g/cm3
Boiling Point: 717.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 387.5±35.7 °C
Index of Refraction: 1.652
Molar Refractivity: 138.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 119.73
ACD/KOC (pH 5.5): 652.10
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 644.45
ACD/KOC (pH 7.4): 3509.94
Polar Surface Area: 116 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 378.8±3.0 cm3

Click to predict properties on the Chemicalize site


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