ChemSpider 2D Image | 2-[2-(1H-Indol-3-yl)ethyl]-7-(4-isopropoxy-3-methoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione | C35H36N4O4

2-[2-(1H-Indol-3-yl)ethyl]-7-(4-isopropoxy-3-methoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione

  • Molecular FormulaC35H36N4O4
  • Average mass576.685 Da
  • Monoisotopic mass576.273682 Da
  • ChemSpider ID4023749

More details:

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

2-[2-(1H-Indol-3-yl)ethyl]-7-(4-isopropoxy-3-methoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indol-1,4-dion [German] [ACD/IUPAC Name]
2-[2-(1H-Indol-3-yl)ethyl]-7-(4-isopropoxy-3-methoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione [ACD/IUPAC Name]
2-[2-(1H-Indol-3-yl)éthyl]-7-(4-isopropoxy-3-méthoxyphényl)-12b-méthyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione [French] [ACD/IUPAC Name]
Pyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione, 2,3,6,7,12,12b-hexahydro-2-[2-(1H-indol-3-yl)ethyl]-7-[3-methoxy-4-(1-methylethoxy)phenyl]-12b-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 840.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 461.8±34.3 °C
Index of Refraction: 1.710
Molar Refractivity: 166.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2176.30
ACD/KOC (pH 5.5): 8525.81
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2176.30
ACD/KOC (pH 7.4): 8525.81
Polar Surface Area: 91 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 426.7±5.0 cm3

Click to predict properties on the Chemicalize site


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