ChemSpider 2D Image | (3R)-3-Amino-1-[1,4-dimethyl-2-(trifluoromethyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]-4-(2,4,5-trifluorophenyl)-1-butanone | C19H20F6N4O

(3R)-3-Amino-1-[1,4-dimethyl-2-(trifluoromethyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]-4-(2,4,5-trifluorophenyl)-1-butanone

  • Molecular FormulaC19H20F6N4O
  • Average mass434.379 Da
  • Monoisotopic mass434.154144 Da
  • ChemSpider ID23308423

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3R)-3-Amino-1-[1,4-dimethyl-2-(trifluormethyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]-4-(2,4,5-trifluorphenyl)-1-butanon [German] [ACD/IUPAC Name]
(3R)-3-Amino-1-[1,4-dimethyl-2-(trifluoromethyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]-4-(2,4,5-trifluorophenyl)-1-butanone [ACD/IUPAC Name]
(3R)-3-Amino-1-[1,4-diméthyl-2-(trifluorométhyl)-1,4,6,7-tétrahydro-5H-imidazo[4,5-c]pyridin-5-yl]-4-(2,4,5-trifluorophényl)-1-butanone [French] [ACD/IUPAC Name]
(3R)-3-amino-1-[1,4-dimethyl-2-(trifluoromethyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
1-Butanone, 3-amino-1-[1,4,6,7-tetrahydro-1,4-dimethyl-2-(trifluoromethyl)-5H-imidazo[4,5-c]pyridin-5-yl]-4-(2,4,5-trifluorophenyl)-, (3R)- [ACD/Index Name]
(3R)-3-amino-1-(1,4-dimethyl-2-(trifluoromethyl)-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CHEMBL250202

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

Density: 1.5±0.0 g/cm3
Boiling Point: 532.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 80.8±0.0 kJ/mol
Flash Point: 275.6±0.0 °C
Index of Refraction: 1.563
Molar Refractivity: 95.6±0.0 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 8.91
ACD/KOC (pH 5.5): 68.42
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 159.14
ACD/KOC (pH 7.4): 1222.50
Polar Surface Area: 64 Å2
Polarizability: 37.9±0.0 10-24cm3
Surface Tension: 37.0±0.0 dyne/cm
Molar Volume: 294.1±0.0 cm3

Click to predict properties on the Chemicalize site


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