Molecules/1-((3R)-6,8-Difluoro-3,4-dihydro-2H-1-benzopyran-3-yl)-1,3-dihydro-5-(2-((phenylmethyl)amino)ethyl)-2H-imidazole-2-thione
1-((3R)-6,8-Difluoro-3,4-dihydro-2H-1-benzopyran-3-yl)-1,3-dihydro-5-(2-((phenylmethyl)amino)ethyl)-2H-imidazole-2-thione
4-[2-(benzylamino)ethyl]-3-[(3R)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1H-imidazole-2-thione
Molecular Identity
1-((3R)-6,8-Difluoro-3,4-dihydro-2H-1-benzopyran-3-yl)-1,3-dihydro-5-(2-((phenylmethyl)amino)ethyl)-2H-imidazole-2-thione
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: C1C(COC2=C1C=C(C=C2F)F)N3C(=CNC3=S)CCNCC4=CC=CC=C4Isomeric SMILES
SMILES: C1[C@H](COC2=C1C=C(C=C2F)F)N3C(=CNC3=S)CCNCC4=CC=CC=C4Synonyms(20)
Zamicastat1080028-80-3YLU32D0DNVDTXSID801483581-((3R)-6,8-Difluoro-3,4-dihydro-2H-1-benzopyran-3-yl)-1,3-dihydro-5-(2-((phenylmethyl)amino)ethyl)-2H-imidazole-2-thionezamicastatumRefChem:907109DTXCID20708495-(2-(benzylamino)ethyl)-1-((3R)-6,8-difluoro-3,4-dihydro-2H-1-benzopyran-3-yl)-2,3-dihydro-1H-imidazole-2-thioneZamicastat [INN]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)-thione5-(2-(Benzylamino)ethyl)-1-((3R)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl)-1,3-dihydro-2H-imidazole-2-thioneUNII-YLU32D0DNV2H-IMIDAZOLE-2-THIONE, 1-((3R)-6,8-DIFLUORO-3,4-DIHYDRO-2H-1-BENZOPYRAN-3-YL)-1,3-DIHYDRO-5-(2-((PHENYLMETHYL)AMINO)ETHYL)-
Data from PubChem (NCBI)
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Molecular Structure
1-((3R)-6,8-Difluoro-3,4-dihydro-2H-1-benzopyran-3-yl)-1,3-dihydro-5-(2-((phenylmethyl)amino)ethyl)-2H-imidazole-2-thione
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Drug Network
Trials and conditions connected to 1-((3R)-6,8-Difluoro-3,4-dihydro-2H-1-benzopyran-3-yl)-1,3-dihydro-5-(2-((phenylmethyl)amino)ethyl)-2H-imidazole-2-thione
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