Zamicastat
4-[2-(benzylamino)ethyl]-3-[(3R)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1H-imidazole-2-thione
Molecular Identity
Zamicastat
4-[2-(benzylamino)ethyl]-3-[(3R)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1H-imidazole-2-thione
PubChem CID: 25052630
2D Structure
Properties
C21H21F2N3OS
Molecular Formula
401.50
Molecular Weight
g/mol
401.1373
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
68.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
584
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Zamicastat1080028-80-3YLU32D0DNVDTXSID80148358zamicastatumRefChem:907109DTXCID20708491-((3R)-6,8-Difluoro-3,4-dihydro-2H-1-benzopyran-3-yl)-1,3-dihydro-5-(2-((phenylmethyl)amino)ethyl)-2H-imidazole-2-thione5-(2-(benzylamino)ethyl)-1-((3R)-6,8-difluoro-3,4-dihydro-2H-1-benzopyran-3-yl)-2,3-dihydro-1H-imidazole-2-thioneZamicastat [INN]1080028-80-3 (free base)4-[2-(benzylamino)ethyl]-3-[(3R)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1H-imidazole-2-thione(R)-5-(2-(benzylamino)ethyl)-1-(6,8-difluorochroman-3-yl)-1H-imidazole-2(3H)-thione(R)-5-(2-(benzylamino)ethyl)-1-(6,8-difluorochroman-3-yl)-1,3-dihydro-2H-imidazole-2-thione5-(2-(Benzylamino)ethyl)-1-((3R)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl)-1,3-dihydro-2H-imidazole-2-thione
Data from PubChem (NCBI)
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