ChemSpider 2D Image | elenbecestat | C19H18F3N5O2S

elenbecestat

  • Molecular FormulaC19H18F3N5O2S
  • Average mass437.439 Da
  • Monoisotopic mass437.113342 Da
  • ChemSpider ID64835230

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1388651-30-6 [RN]
2-Pyrazinecarboxamide, N-[3-[(4aS,5R,7aS)-2-amino-4a,5-dihydro-5-methyl-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl]-5-(difluoromethyl)- [ACD/Index Name]
elenbecestat [INN]
elenbecestat [Spanish] [INN]
élenbécestat [French] [INN]
elenbecestatum [Latin] [INN]
N-{3-[(4aS,5R,7aS)-2-Amino-5-methyl-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-(difluoromethyl)-2-pyrazinecarboxamide [ACD/IUPAC Name]
N-{3-[(4aS,5R,7aS)-2-Amino-5-méthyl-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophényl}-5-(difluorométhyl)-2-pyrazinecarboxamide [French] [ACD/IUPAC Name]
N-{3-[(4aS,5R,7aS)-2-Amino-5-methyl-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorphenyl}-5-(difluormethyl)-2-pyrazincarboxamid [German] [ACD/IUPAC Name]
N-{3-[(4aS,5R,7aS)-2-amino-5-methyl-4H,4aH,5H,7H,7aH-furo[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl}-5-(difluoromethyl)pyrazine-2-carboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10609 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.693
Molar Refractivity: 104.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.05
ACD/KOC (pH 5.5): 158.38
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.95
ACD/KOC (pH 7.4): 191.59
Polar Surface Area: 128 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 271.3±7.0 cm3

Click to predict properties on the Chemicalize site


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