ChemSpider 2D Image | Isopropyl 8-fluoro-1,1-dimethyl-3-{4-[3-(4-morpholinyl)propoxy]benzoyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate | C32H38FN3O5

Isopropyl 8-fluoro-1,1-dimethyl-3-{4-[3-(4-morpholinyl)propoxy]benzoyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate

  • Molecular FormulaC32H38FN3O5
  • Average mass563.660 Da
  • Monoisotopic mass563.279541 Da
  • ChemSpider ID24644499

More details:

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

1-methylethyl 8-fluoro-1,1-dimethyl-3-{[4-(3-morpholin-4-ylpropoxy)phenyl]carbonyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
8-Fluoro-1,1-diméthyl-3-{4-[3-(4-morpholinyl)propoxy]benzoyl}-1,2,3,6-tétrahydroazépino[4,5-b]indole-5-carboxylate d'isopropyle [French] [ACD/IUPAC Name]
Azepino[4,5-b]indole-5-carboxylic acid, 8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-3-[4-[3-(4-morpholinyl)propoxy]benzoyl]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 8-fluoro-1,1-dimethyl-3-{4-[3-(4-morpholinyl)propoxy]benzoyl}-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate [ACD/IUPAC Name]
Isopropyl-8-fluor-1,1-dimethyl-3-{4-[3-(4-morpholinyl)propoxy]benzoyl}-1,2,3,6-tetrahydroazepino[4,5-b]indol-5-carboxylat [German] [ACD/IUPAC Name]

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

635 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 740.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.6±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 155.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 82.60
ACD/KOC (pH 5.5): 287.93
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 2183.53
ACD/KOC (pH 7.4): 7611.77
Polar Surface Area: 84 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 461.0±3.0 cm3

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