ChemSpider 2D Image | 3-(3,5-Dichlorophenyl)-1'-{[5-(1-pyrrolidinyl)-2-pyridinyl]methyl}-3H-spiro[2-benzofuran-1,4'-piperidine] | C28H29Cl2N3O

3-(3,5-Dichlorophenyl)-1'-{[5-(1-pyrrolidinyl)-2-pyridinyl]methyl}-3H-spiro[2-benzofuran-1,4'-piperidine]

  • Molecular FormulaC28H29Cl2N3O
  • Average mass494.455 Da
  • Monoisotopic mass493.168762 Da
  • ChemSpider ID28495933

More details:

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

3-(3,5-Dichlorophenyl)-1'-{[5-(1-pyrrolidinyl)-2-pyridinyl]methyl}-3H-spiro[2-benzofuran-1,4'-piperidine] [ACD/IUPAC Name]
3-(3,5-Dichlorophényl)-1'-{[5-(1-pyrrolidinyl)-2-pyridinyl]méthyl}-3H-spiro[2-benzofuran-1,4'-piperidine] [French] [ACD/IUPAC Name]
3-(3,5-Dichlorphenyl)-1'-{[5-(1-pyrrolidinyl)-2-pyridinyl]methyl}-3H-spiro[2-benzofuran-1,4'-piperidine] [German] [ACD/IUPAC Name]
Spiro[isobenzofuran-1(3H),4'-piperidine], 3-(3,5-dichlorophenyl)-1'-[[5-(1-pyrrolidinyl)-2-pyridinyl]methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 632.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 336.0±31.5 °C
Index of Refraction: 1.679
Molar Refractivity: 137.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.53
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 764.62
ACD/KOC (pH 5.5): 1216.80
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 27824.63
ACD/KOC (pH 7.4): 44279.44
Polar Surface Area: 29 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 365.5±5.0 cm3

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