ChemSpider 2D Image | Cyclobutyl{(2R)-2-(3,4-dichlorophenyl)-2-[2-(2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)ethyl]-4-morpholinyl}methanone | C30H36Cl2N2O3

Cyclobutyl{(2R)-2-(3,4-dichlorophenyl)-2-[2-(2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)ethyl]-4-morpholinyl}methanone

  • Molecular FormulaC30H36Cl2N2O3
  • Average mass543.524 Da
  • Monoisotopic mass542.210327 Da
  • ChemSpider ID8090992

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Cyclobutyl{(2R)-2-(3,4-dichlorophenyl)-2-[2-(2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)ethyl]-4-morpholinyl}methanone [ACD/IUPAC Name]
Cyclobutyl{(2R)-2-(3,4-dichlorophényl)-2-[2-(2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)éthyl]-4-morpholinyl}méthanone [French] [ACD/IUPAC Name]
Cyclobutyl{(2R)-2-(3,4-dichlorphenyl)-2-[2-(2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)ethyl]-4-morpholinyl}methanon [German] [ACD/IUPAC Name]
Methanone, cyclobutyl[(2R)-2-(3,4-dichlorophenyl)-2-[2-(2,3-dihydro-2-hydroxyspiro[1H-indene-1,4'-piperidin]-1'-yl)ethyl]-4-morpholinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 704.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 380.0±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 147.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 6.00
ACD/KOC (pH 5.5): 17.40
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 85.05
ACD/KOC (pH 7.4): 246.67
Polar Surface Area: 53 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 403.6±5.0 cm3

Click to predict properties on the Chemicalize site


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