ChemSpider 2D Image | (1R)-9-[(3S,4S)-1,3-Dimethyl-4-piperidinyl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one | C24H27FN4O2

(1R)-9-[(3S,4S)-1,3-Dimethyl-4-piperidinyl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one

  • Molecular FormulaC24H27FN4O2
  • Average mass422.495 Da
  • Monoisotopic mass422.211792 Da
  • ChemSpider ID35035210

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R)-9-[(3S,4S)-1,3-Dimethyl-4-piperidinyl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one [ACD/IUPAC Name]
(1R)-9-[(3S,4S)-1,3-Diméthyl-4-pipéridinyl]-8-(2-fluorophényl)-1-méthyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one [French] [ACD/IUPAC Name]
(1R)-9-[(3S,4S)-1,3-Dimethyl-4-piperidinyl]-8-(2-fluorphenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-on [German] [ACD/IUPAC Name]
(1r)-9-[(3s,4s)-1,3-Dimethylpiperidin-4-Yl]-8-(2-Fluorophenyl)-1-Methyl-3,5-Dihydro[1,2,4]triazino[3,4-C][1,4]benzoxazin-2(1h)-One
[1,2,4]Triazino[3,4-c][1,4]benzoxazin-2(1H)-one, 9-[(3S,4S)-1,3-dimethyl-4-piperidinyl]-8-(2-fluorophenyl)-3,5-dihydro-1-methyl-, (1R)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.668
Molar Refractivity: 116.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.92
Polar Surface Area: 57 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 311.1±7.0 cm3

Click to predict properties on the Chemicalize site


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