Found 4 results

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

N-[3-(Benzylsulfanyl)-1-(4,4-dimethyl-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl)-1-oxo-2-propanyl]-1-naphthamide

  • Molecular FormulaC38H36N2O2S
  • Average mass584.770 Da
  • Monoisotopic mass584.249756 Da
  • ChemSpider ID122218008

More details:

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

1-Naphthalenecarboxamide, N-[2-(3,4-dihydro-4,4-dimethyl-1-phenyl-2(1H)-isoquinolinyl)-2-oxo-1-[[(phenylmethyl)thio]methyl]ethyl]- [ACD/Index Name]
N-[3-(Benzylsulfanyl)-1-(4,4-dimethyl-1-phenyl-3,4-dihydro-2(1H)-isochinolinyl)-1-oxo-2-propanyl]-1-naphthamid [German] [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-(4,4-diméthyl-1-phényl-3,4-dihydro-2(1H)-isoquinoléinyl)-1-oxo-2-propanyl]-1-naphtamide [French] [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-(4,4-dimethyl-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl)-1-oxo-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: 808.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 442.9±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 177.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 9.50
ACD/LogD (pH 5.5): 7.89
ACD/BCF (pH 5.5): 582953.06
ACD/KOC (pH 5.5): 466242.16
ACD/LogD (pH 7.4): 7.89
ACD/BCF (pH 7.4): 582949.88
ACD/KOC (pH 7.4): 466239.59
Polar Surface Area: 75 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 488.1±3.0 cm3

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