ChemSpider 2D Image | Methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate | C19H18F6N4O3

Methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate

  • Molecular FormulaC19H18F6N4O3
  • Average mass464.362 Da
  • Monoisotopic mass464.128296 Da
  • ChemSpider ID57583801

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1174122-54-3 [RN]
7-[(3R)-3-Amino-4-(2,4,5-trifluorophényl)butanoyl]-3-(trifluorométhyl)-5,6,7,8-tétrahydroimidazo[1,5-a]pyrazine-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
Imidazo[1,5-a]pyrazine-1-carboxylic acid, 7-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-, methyl ester [ACD/Index Name]
Methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate [ACD/IUPAC Name]
Methyl-7-[(3R)-3-amino-4-(2,4,5-trifluorphenyl)butanoyl]-3-(trifluormethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-carboxylat [German] [ACD/IUPAC Name]
1256756-88-3 [RN]
methyl (R)-7-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate
methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate
methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-5H,6H,8H-imidazo[1,5-a]pyrazine-1-carboxylate
methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

328C4R3P9L [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 587.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.3±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 98.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.17
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 12.52
ACD/KOC (pH 7.4): 198.16
Polar Surface Area: 90 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 41.4±7.0 dyne/cm
Molar Volume: 298.7±7.0 cm3

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