N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methyl-benzothiazol-5-yloxy)-propyl]-2-oxo-piperazin-1-yl}acetamide

HCID 10299609

Notes Reactions

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Basic information

Standard SMILES: Cc1nc2cc(OCC(O)CN3CCN(CC(=O)Nc4c(C)cccc4C)C(=O)C3)ccc2s1
InChIKey: ZSJQEOXCZMMJFS-UHFFFAOYSA-N
Molecular formula: C25H30N4O4S
Average molar mass: 482.6 g/mol

Names & identifiers

Preferred name: N-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methyl-benzothiazol-5-yloxy)-propyl]-2-oxo-piperazin-1-yl}acetamide
IUPAC: N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-2-oxopiperazin-1-yl]acetamide

Names & synonyms

SCHEMBL5228405ZSJQEOXCZMMJFS-UHFFFAOYSA-NN-(2,6-dimethylphenyl)-2-{4-[2-hydroxy-3-(2-methyl-benzothiazol-5-yloxy)-propyl]-2-oxo-piperazin-1-yl}acetamide

Database identifiers

PubChem CID: 10299609

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 123 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 34
Formal charge: 0
Complexity: 702

Related reactions

4 records

New reaction record

HRID 22713As productuspto-grants-2005_02

HRID 165910As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1368049As productuspto-grants-2003_06

HRID 2337994As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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