ChemSpider 2D Image | (2S)-1-[4-(3,4-Dichlorophenyl)-1-piperidinyl]-3-{[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy}-2-propanol | C25H25Cl2N3O4

(2S)-1-[4-(3,4-Dichlorophenyl)-1-piperidinyl]-3-{[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy}-2-propanol

  • Molecular FormulaC25H25Cl2N3O4
  • Average mass502.390 Da
  • Monoisotopic mass501.122223 Da
  • ChemSpider ID7981825
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-1-[4-(3,4-Dichlorophenyl)-1-piperidinyl]-3-{[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy}-2-propanol [ACD/IUPAC Name]
(2S)-1-[4-(3,4-Dichlorophényl)-1-pipéridinyl]-3-{[2-(5-méthyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy}-2-propanol [French] [ACD/IUPAC Name]
(2S)-1-[4-(3,4-Dichlorphenyl)-1-piperidinyl]-3-{[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy}-2-propanol [German] [ACD/IUPAC Name]
1-Piperidineethanol, 4-(3,4-dichlorophenyl)-α-[[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-4-benzofuranyl]oxy]methyl]-, (αS)- [ACD/Index Name]
310392-94-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 683.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 367.3±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 130.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 5.13
ACD/KOC (pH 5.5): 21.19
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 254.45
ACD/KOC (pH 7.4): 1050.47
Polar Surface Area: 85 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 373.7±3.0 cm3

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