ChemSpider 2D Image | (4-{4-[(3,4-Dihydro-1H-isochromen-1-ylmethyl)amino]-1-piperidinyl}phenyl)(3,4-dihydro-2(1H)-isoquinolinyl)methanone | C31H35N3O2

(4-{4-[(3,4-Dihydro-1H-isochromen-1-ylmethyl)amino]-1-piperidinyl}phenyl)(3,4-dihydro-2(1H)-isoquinolinyl)methanone

  • Molecular FormulaC31H35N3O2
  • Average mass481.629 Da
  • Monoisotopic mass481.272919 Da
  • ChemSpider ID22220747

More details:

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

(4-{4-[(3,4-Dihydro-1H-isochromén-1-ylméthyl)amino]-1-pipéridinyl}phényl)(3,4-dihydro-2(1H)-isoquinoléinyl)méthanone [French] [ACD/IUPAC Name]
(4-{4-[(3,4-Dihydro-1H-isochromen-1-ylmethyl)amino]-1-piperidinyl}phenyl)(3,4-dihydro-2(1H)-isoquinolinyl)methanone [ACD/IUPAC Name]
3,4-Dihydro-2(1H)-isochinolinyl(4-{4-[(3,4-dihydro-1H-isochromen-1-ylmethyl)amino]-1-piperidinyl}phenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [4-[4-[[(3,4-dihydro-1H-2-benzopyran-1-yl)methyl]amino]-1-piperidinyl]phenyl](3,4-dihydro-2(1H)-isoquinolinyl)- [ACD/Index Name]
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1-[4-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)phenyl]-4-piperidinamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 704.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 380.1±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 143.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 1.02
ACD/KOC (pH 5.5): 5.16
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 25.44
ACD/KOC (pH 7.4): 129.01
Polar Surface Area: 45 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 387.3±5.0 cm3

Click to predict properties on the Chemicalize site


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