ChemSpider 2D Image | N-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide | C19H20F6N4O

N-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide

  • Molecular FormulaC19H20F6N4O
  • Average mass434.379 Da
  • Monoisotopic mass434.154144 Da
  • ChemSpider ID35035808

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide [ACD/IUPAC Name]
N-[(3R)-3-Amino-4-(2,4,5-trifluorophényl)butyl]-6-(trifluorométhyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide [French] [ACD/IUPAC Name]
N-[(3R)-3-Amino-4-(2,4,5-trifluorphenyl)butyl]-6-(trifluormethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-carboxamid [German] [ACD/IUPAC Name]
Pyrrolo[1,2-a]pyrazine-2(1H)-carboxamide, N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-3,4-dihydro-6-(trifluoromethyl)- [ACD/Index Name]
D3C

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

Density: 1.5±0.1 g/cm3
Boiling Point: 558.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.2±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 96.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.20
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 2.15
ACD/KOC (pH 7.4): 18.13
Polar Surface Area: 63 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 39.2±7.0 dyne/cm
Molar Volume: 295.8±7.0 cm3

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