ChemSpider 2D Image | 6,7,8-Trimethoxy-13-(methoxyacetyl)-16-[(1-methyl-1H-indol-4-yl)carbonyl]-1,3,13,16,20-pentaazatetracyclo[20.3.1.0~2,11~.0~4,9~]hexacosa-2(11),3,5,7,9-pentaen-19-one | C37H46N6O7

6,7,8-Trimethoxy-13-(methoxyacetyl)-16-[(1-methyl-1H-indol-4-yl)carbonyl]-1,3,13,16,20-pentaazatetracyclo[20.3.1.02,11.04,9]hexacosa-2(11),3,5,7,9-pentaen-19-one

  • Molecular FormulaC37H46N6O7
  • Average mass686.797 Da
  • Monoisotopic mass686.342773 Da
  • ChemSpider ID103849363

More details:

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

1,5-Methano-1H-[1,4,8,14]tetraazacycloheptadecino[7,6-b]quinolin-8(9H)-one, 2,3,4,5,6,7,10,11,12,13,14,15-dodecahydro-17,18,19-trimethoxy-14-(2-methoxyacetyl)-11-[(1-methyl-1H-indol-4-yl)carbonyl]- [ACD/Index Name]
6,7,8-Triméthoxy-13-(2-méthoxyacétyl)-16-[(1-méthyl-1H-indol-4-yl)carbonyl]-1,3,13,16,20-pentaazatétracyclo[20.3.1.02,11.04,9]hexacosa-2(11),3,5,7,9-pentaén-19-one [French] [ACD/IUPAC Name]
6,7,8-Trimethoxy-13-(methoxyacetyl)-16-[(1-methyl-1H-indol-4-yl)carbonyl]-1,3,13,16,20-pentaazatetracyclo[20.3.1.02,11.04,9]hexacosa-2(11),3,5,7,9-pentaen-19-on [German] [ACD/IUPAC Name]
6,7,8-Trimethoxy-13-(methoxyacetyl)-16-[(1-methyl-1H-indol-4-yl)carbonyl]-1,3,13,16,20-pentaazatetracyclo[20.3.1.02,11.04,9]hexacosa-2(11),3,5,7,9-pentaen-19-one [ACD/IUPAC Name]
6,7,8-trimethoxy-13-(methoxyacetyl)-16-[(1-methyl-1H-indol-4-yl)carbonyl]-1,3,13,16,20-pentaazatetracyclo[20.3.1.02,11.04,9]hexacosa-2,4,6,8,10-pentaen-19-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 931.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.6±3.0 kJ/mol
Flash Point: 517.2±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 186.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 32.82
ACD/KOC (pH 5.5): 353.39
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.37
ACD/KOC (pH 7.4): 660.80
Polar Surface Area: 128 Å2
Polarizability: 74.1±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 521.6±7.0 cm3

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