ChemSpider 2D Image | Allyl {[1-(4-fluorophenyl)-9-methyl-9H-beta-carbolin-3-yl]methyl}carbamodithioate | C23H20FN3S2

Allyl {[1-(4-fluorophenyl)-9-methyl-9H-β-carbolin-3-yl]methyl}carbamodithioate

  • Molecular FormulaC23H20FN3S2
  • Average mass421.553 Da
  • Monoisotopic mass421.108276 Da
  • ChemSpider ID58979968

More details:

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

{[1-(4-Fluorophényl)-9-méthyl-9H-β-carbolin-3-yl]méthyl}carbamodithioate d'allyle [French] [ACD/IUPAC Name]
Allyl {[1-(4-fluorophenyl)-9-methyl-9H-β-carbolin-3-yl]methyl}carbamodithioate [ACD/IUPAC Name]
Allyl-{[1-(4-fluorphenyl)-9-methyl-9H-β-carbolin-3-yl]methyl}carbamodithioat [German] [ACD/IUPAC Name]
Carbamodithioic acid, N-[[1-(4-fluorophenyl)-9-methyl-9H-pyrido[3,4-b]indol-3-yl]methyl]-, 2-propen-1-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 542.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.0±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 123.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 303.40
ACD/KOC (pH 5.5): 796.34
ACD/LogD (pH 7.4): 5.35
ACD/BCF (pH 7.4): 6359.66
ACD/KOC (pH 7.4): 16692.06
Polar Surface Area: 87 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 333.2±7.0 cm3

Click to predict properties on the Chemicalize site


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