ChemSpider 2D Image | (4aR,4bS,6aS,11aS,11bR)-8-(4-Fluorophenyl)-4a,6a-dimethyl-3,4,4a,4b,5,6,6a,7,8,11,11a,11b,12,13-tetradecahydro-2H-naphtho[2,1-f]pyrazolo[3,4-b]quinolin-2-one | C26H30FN3O

(4aR,4bS,6aS,11aS,11bR)-8-(4-Fluorophenyl)-4a,6a-dimethyl-3,4,4a,4b,5,6,6a,7,8,11,11a,11b,12,13-tetradecahydro-2H-naphtho[2,1-f]pyrazolo[3,4-b]quinolin-2-one

  • Molecular FormulaC26H30FN3O
  • Average mass419.534 Da
  • Monoisotopic mass419.237305 Da
  • ChemSpider ID24725045

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4aR,4bS,6aS,11aS,11bR)-8-(4-Fluorophenyl)-4a,6a-dimethyl-3,4,4a,4b,5,6,6a,7,8,11,11a,11b,12,13-tetradecahydro-2H-naphtho[2,1-f]pyrazolo[3,4-b]quinolin-2-one [ACD/IUPAC Name]
(4aR,4bS,6aS,11aS,11bR)-8-(4-Fluorophényl)-4a,6a-diméthyl-3,4,4a,4b,5,6,6a,7,8,11,11a,11b,12,13-tétradécahydro-2H-naphto[2,1-f]pyrazolo[3,4-b]quinoléin-2-one [French] [ACD/IUPAC Name]
(4aR,4bS,6aS,11aS,11bR)-8-(4-Fluorphenyl)-4a,6a-dimethyl-3,4,4a,4b,5,6,6a,7,8,11,11a,11b,12,13-tetradecahydro-2H-naphtho[2,1-f]pyrazolo[3,4-b]chinolin-2-on [German] [ACD/IUPAC Name]
2H-Naphtho[2,1-f]pyrazolo[3,4-b]quinolin-2-one, 8-(4-fluorophenyl)-3,4,4a,4b,5,6,6a,7,8,11,11a,11b,12,13-tetradecahydro-4a,6a-dimethyl-, (4aR,4bS,6aS,11aS,11bR)- [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: 585.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 307.8±30.1 °C
Index of Refraction: 1.693
Molar Refractivity: 118.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 8628.77
ACD/KOC (pH 5.5): 22768.26
ACD/LogD (pH 7.4): 5.49
ACD/BCF (pH 7.4): 8740.76
ACD/KOC (pH 7.4): 23063.77
Polar Surface Area: 47 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 309.1±7.0 cm3

Click to predict properties on the Chemicalize site


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