tert-butyl (3S)-4-[(2S)-2-hydroxy-3-(2-methylbenzothiazol-6-yloxy)propyl]-3-methylpiperazinecarboxylate

HCID 86759596
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Basic information

Standard SMILES
Cc1nc2ccc(OC[C@@H](O)CN3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)cc2s1
InChIKey
IDKAJTBZJUNWNV-HOCLYGCPSA-N
Molecular formula
C21H31N3O4S
Average molar mass
421.6 g/mol

Names & identifiers

Preferred name
tert-butyl (3S)-4-[(2S)-2-hydroxy-3-(2-methylbenzothiazol-6-yloxy)propyl]-3-methylpiperazinecarboxylate
IUPAC
tert-butyl (3S)-4-[(2S)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-6-yl)oxy]propyl]-3-methylpiperazine-1-carboxylate

Names & synonyms

IDKAJTBZJUNWNV-HOCLYGCPSA-Ntert-butyl (3S)-4-[(2S)-2-hydroxy-3-(2-methylbenzothiazol-6-yloxy)propyl]-3-methylpiperazinecarboxylate

Database identifiers

PubChem CID
86759596

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
103 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

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