ChemSpider 2D Image | (2,3-Dimethylphenyl)[4-(2-{4-[(4-methoxyphenyl)sulfonyl]phenyl}-1,3-dioxolan-2-yl)-1,4'-bipiperidin-1'-yl]methanone | C35H42N2O6S

(2,3-Dimethylphenyl)[4-(2-{4-[(4-methoxyphenyl)sulfonyl]phenyl}-1,3-dioxolan-2-yl)-1,4'-bipiperidin-1'-yl]methanone

  • Molecular FormulaC35H42N2O6S
  • Average mass618.783 Da
  • Monoisotopic mass618.276367 Da
  • ChemSpider ID23200089

More details:

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

(2,3-Dimethylphenyl)[4-(2-{4-[(4-methoxyphenyl)sulfonyl]phenyl}-1,3-dioxolan-2-yl)-1,4'-bipiperidin-1'-yl]methanon [German] [ACD/IUPAC Name]
(2,3-Dimethylphenyl)[4-(2-{4-[(4-methoxyphenyl)sulfonyl]phenyl}-1,3-dioxolan-2-yl)-1,4'-bipiperidin-1'-yl]methanone [ACD/IUPAC Name]
(2,3-Diméthylphényl)[4-(2-{4-[(4-méthoxyphényl)sulfonyl]phényl}-1,3-dioxolan-2-yl)-1,4'-bipipéridin-1'-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, (2,3-dimethylphenyl)[4-[2-[4-[(4-methoxyphenyl)sulfonyl]phenyl]-1,3-dioxolan-2-yl][1,4'-bipiperidin]-1'-yl]- [ACD/Index Name]
(2,3-Dimethyl-phenyl)-(4-{2-[4-(4-methoxy-benzenesulfonyl)-phenyl]-[1,3]dioxolan-2-yl}-[1,4']bipiperidinyl-1'-yl)-methanone
CHEMBL116781

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

Density: 1.2±0.1 g/cm3
Boiling Point: 777.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 423.8±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 170.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 2.44
ACD/KOC (pH 5.5): 10.04
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 76.31
ACD/KOC (pH 7.4): 313.48
Polar Surface Area: 94 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 497.7±3.0 cm3

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