Found 28 results

Search term: MF = 'C_{38}H_{36}N_{4}O_{3}'
ChemSpider 2D Image | N-[1-(7,7-Dimethyl-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-3-(1H-indol-3-yl)-1-oxo-2-propanyl]-4-biphenylcarboxamide | C38H36N4O3

N-[1-(7,7-Dimethyl-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-3-(1H-indol-3-yl)-1-oxo-2-propanyl]-4-biphenylcarboxamide

  • Molecular FormulaC38H36N4O3
  • Average mass596.717 Da
  • Monoisotopic mass596.278748 Da
  • ChemSpider ID122005172

More details:

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

[1,1'-Biphenyl]-4-carboxamide, N-[2-(1,3,4,6,7,11b-hexahydro-7,7-dimethyl-4-oxo-2H-pyrazino[2,1-a]isoquinolin-2-yl)-1-(1H-indol-3-ylmethyl)-2-oxoethyl]- [ACD/Index Name]
N-[1-(7,7-Dimethyl-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isochinolin-2-yl)-3-(1H-indol-3-yl)-1-oxo-2-propanyl]-4-biphenylcarboxamid [German] [ACD/IUPAC Name]
N-[1-(7,7-Diméthyl-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoléin-2-yl)-3-(1H-indol-3-yl)-1-oxo-2-propanyl]-4-biphénylcarboxamide [French] [ACD/IUPAC Name]
N-[1-(7,7-Dimethyl-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-3-(1H-indol-3-yl)-1-oxo-2-propanyl]-4-biphenylcarboxamide [ACD/IUPAC 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: 891.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.6±3.0 kJ/mol
Flash Point: 492.7±34.3 °C
Index of Refraction: 1.711
Molar Refractivity: 175.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 6.14
ACD/BCF (pH 5.5): 27305.71
ACD/KOC (pH 5.5): 52126.11
ACD/LogD (pH 7.4): 6.14
ACD/BCF (pH 7.4): 27305.63
ACD/KOC (pH 7.4): 52125.94
Polar Surface Area: 86 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 449.1±5.0 cm3

Click to predict properties on the Chemicalize site


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