ChemSpider 2D Image | Bis(2-methyl-2-propanyl) (4aS,9aS,14bS)-5-bromo-9-methyl-1-oxo-1,3,4,9,9a,14b-hexahydrobenzo[c]indolo[3,2-j][2,6]naphthyridine-2,10-dicarboxylate | C29H34BrN3O5

Bis(2-methyl-2-propanyl) (4aS,9aS,14bS)-5-bromo-9-methyl-1-oxo-1,3,4,9,9a,14b-hexahydrobenzo[c]indolo[3,2-j][2,6]naphthyridine-2,10-dicarboxylate

  • Molecular FormulaC29H34BrN3O5
  • Average mass584.501 Da
  • Monoisotopic mass583.168152 Da
  • ChemSpider ID75576316

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4aS,9aS,14bS)-5-Bromo-9-méthyl-1-oxo-1,3,4,9,9a,14b-hexahydrobenzo[c]indolo[3,2-j][2,6]naphtyridine-2,10-dicarboxylate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) (4aS,9aS,14bS)-5-bromo-9-methyl-1-oxo-1,3,4,9,9a,14b-hexahydrobenzo[c]indolo[3,2-j][2,6]naphthyridine-2,10-dicarboxylate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-(4aS,9aS,14bS)-5-brom-9-methyl-1-oxo-1,3,4,9,9a,14b-hexahydrobenzo[c]indolo[3,2-j][2,6]naphthyridin-2,10-dicarboxylat [German] [ACD/IUPAC Name]
Pyrido[4,3-o]quinindoline-2,10-dicarboxylic acid, 5-bromo-1,3,4,9,9a,14b-hexahydro-9-methyl-1-oxo-, bis(1,1-dimethylethyl) ester, (4aS,9aS,14bS)- [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: 669.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.9±31.5 °C
Index of Refraction: 1.645
Molar Refractivity: 147.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 6.68
ACD/BCF (pH 5.5): 70176.14
ACD/KOC (pH 5.5): 102439.63
ACD/LogD (pH 7.4): 6.68
ACD/BCF (pH 7.4): 70184.70
ACD/KOC (pH 7.4): 102452.12
Polar Surface Area: 79 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 405.9±5.0 cm3

Click to predict properties on the Chemicalize site


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