Found 4 results

Search term: MF = 'C_{38}H_{36}N_{2}O_{2}S'
ChemSpider 2D Image | N-{3-(Benzylsulfanyl)-1-oxo-1-[1-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-propanyl}-1-naphthamide | C38H36N2O2S

N-{3-(Benzylsulfanyl)-1-oxo-1-[1-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-propanyl}-1-naphthamide

  • Molecular FormulaC38H36N2O2S
  • Average mass584.770 Da
  • Monoisotopic mass584.249756 Da
  • ChemSpider ID122217200

More details:

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

1-Naphthalenecarboxamide, N-[2-[3,4-dihydro-1-(2-phenylethyl)-2(1H)-isoquinolinyl]-2-oxo-1-[[(phenylmethyl)thio]methyl]ethyl]- [ACD/Index Name]
N-{3-(Benzylsulfanyl)-1-oxo-1-[1-(2-phenylethyl)-3,4-dihydro-2(1H)-isochinolinyl]-2-propanyl}-1-naphthamid [German] [ACD/IUPAC Name]
N-{3-(Benzylsulfanyl)-1-oxo-1-[1-(2-phényléthyl)-3,4-dihydro-2(1H)-isoquinoléinyl]-2-propanyl}-1-naphtamide [French] [ACD/IUPAC Name]
N-{3-(Benzylsulfanyl)-1-oxo-1-[1-(2-phenylethyl)-3,4-dihydro-2(1H)-isoquinolinyl]-2-propanyl}-1-naphthamide [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 827.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 454.3±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 177.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.50
ACD/LogD (pH 5.5): 8.03
ACD/BCF (pH 5.5): 743695.44
ACD/KOC (pH 5.5): 555027.13
ACD/LogD (pH 7.4): 8.03
ACD/BCF (pH 7.4): 743691.38
ACD/KOC (pH 7.4): 555024.06
Polar Surface Area: 75 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 483.8±3.0 cm3

Click to predict properties on the Chemicalize site


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