ChemSpider 2D Image | 3-Fluoro-14-[(2S)-2-fluorocyclohexyl]-6-[2-(1-pyrrolidinyl)ethyl]-5,6,7,8-tetrahydroindolo[1,2-e][1,5]benzodiazocine-11-carboxylic acid | C30H35F2N3O2

3-Fluoro-14-[(2S)-2-fluorocyclohexyl]-6-[2-(1-pyrrolidinyl)ethyl]-5,6,7,8-tetrahydroindolo[1,2-e][1,5]benzodiazocine-11-carboxylic acid

  • Molecular FormulaC30H35F2N3O2
  • Average mass507.615 Da
  • Monoisotopic mass507.269745 Da
  • ChemSpider ID17626141

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

3-Fluor-14-[(2S)-2-fluorcyclohexyl]-6-[2-(1-pyrrolidinyl)ethyl]-5,6,7,8-tetrahydroindolo[1,2-e][1,5]benzodiazocin-11-carbonsäure [German] [ACD/IUPAC Name]
3-Fluoro-14-[(2S)-2-fluorocyclohexyl]-6-[2-(1-pyrrolidinyl)ethyl]-5,6,7,8-tetrahydroindolo[1,2-e][1,5]benzodiazocine-11-carboxylic acid [ACD/IUPAC Name]
Acide 3-fluoro-14-[(2S)-2-fluorocyclohexyl]-6-[2-(1-pyrrolidinyl)éthyl]-5,6,7,8-tétrahydroindolo[1,2-e][1,5]benzodiazocine-11-carboxylique [French] [ACD/IUPAC Name]
Indolo[1,2-e][1,5]benzodiazocine-11-carboxylic acid, 3-fluoro-14-[(2S)-2-fluorocyclohexyl]-5,6,7,8-tetrahydro-6-[2-(1-pyrrolidinyl)ethyl]- [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: 721.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 389.8±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 137.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.85
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 101.18
ACD/KOC (pH 5.5): 172.83
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 127.21
ACD/KOC (pH 7.4): 217.29
Polar Surface Area: 58 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 370.5±7.0 cm3

Click to predict properties on the Chemicalize site


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