(2S)-3-((2S)-4-{[5-(2-fluorophenyl)isoxazol-3-yl]methyl}-2-methylpiperazinyl)-1-(2-methylbenzothiazol-5-yloxy)propan-2-ol

HCID 58595331
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Basic information

Standard SMILES
Cc1nc2cc(OC[C@@H](O)CN3CCN(Cc4cc(-c5ccccc5F)on4)C[C@@H]3C)ccc2s1
InChIKey
BVOQSQDSSADYTH-PXNSSMCTSA-N
Molecular formula
C26H29FN4O3S
Average molar mass
496.6 g/mol

Names & identifiers

Preferred name
(2S)-3-((2S)-4-{[5-(2-fluorophenyl)isoxazol-3-yl]methyl}-2-methylpiperazinyl)-1-(2-methylbenzothiazol-5-yloxy)propan-2-ol
IUPAC
(2S)-1-[(2S)-4-[[5-(2-fluorophenyl)-1,2-oxazol-3-yl]methyl]-2-methylpiperazin-1-yl]-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol

Names & synonyms

SCHEMBL5965270BVOQSQDSSADYTH-PXNSSMCTSA-N(2S)-3-((2S)-4-{[5-(2-fluorophenyl)isoxazol-3-yl]methyl}-2-methylpiperazinyl)-1-(2-methylbenzothiazol-5-yloxy)propan-2-ol

Database identifiers

PubChem CID
58595331

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
103 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
35

Related reactions

1 records
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Compound notes

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