ChemSpider 2D Image | (2R,3R)-7-(Methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-aminium | C18H17F3N3O2S

(2R,3R)-7-(Methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-aminium

  • Molecular FormulaC18H17F3N3O2S
  • Average mass396.406 Da
  • Monoisotopic mass396.098816 Da
  • ChemSpider ID34896589

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-7-(Methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-aminium [ACD/IUPAC Name]
(2R,3R)-7-(Méthylsulfonyl)-3-(2,4,5-trifluorophényl)-1,2,3,4-tétrahydropyrido[1,2-a]benzimidazol-2-aminium [French] [ACD/IUPAC Name]
(2R,3R)-7-(Methylsulfonyl)-3-(2,4,5-trifluorphenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-aminium [German] [ACD/IUPAC Name]
Pyrido[1,2-a]benzimidazol-2-amine, 1,2,3,4-tetrahydro-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-, conjugate monoacid, (2R,3R)- [ACD/Index Name]

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

Density:
Boiling Point: 600.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 316.9±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.60
Polar Surface Area: 88 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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