Elenbecestat
N-[3-[(4aS,5R,7aS)-2-amino-5-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide
Molecular Identity
Elenbecestat
N-[3-[(4aS,5R,7aS)-2-amino-5-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide
PubChem CID: 57827330
2D Structure
Properties
C19H18F3N5O2S
Molecular Formula
437.40
Molecular Weight
g/mol
437.1133
Exact Mass
Da
1.4
XLogP
Drug-like (Lipinski: < 5)
128
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
687
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Elenbecestat1388651-30-6E-2609E2609RXJ96XL94HN-[3-[(4aS,5R,7aS)-2-amino-5-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide2-Pyrazinecarboxamide, N-(3-((4aS,5R,7aS)-2-amino-5,7-dihydro-5-methyl-4H-furo(3,4-d)(1,3)thiazin-7a(4ah)-yl)-4-fluorophenyl)-5-(difluoromethyl)-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)pyrazine-2-carboxamideN-(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)pyrazine-2-carboxamideelenbecestatumN-(3-((4aS,5R,7aS)-2-amino-5-methyl-4,4a,5,7-tetrahydrofuro(3,4-d)(1,3)thiazin-7a-yl)-4-fluorophenyl)-5-(difluoromethyl)pyrazine-2-carboxamideN-{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)pyrazine-2-carboxamideRefChem:1084069N-(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-carboxamideElenbecestat [INN]
Data from PubChem (NCBI)
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