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4-[2-(4-Morpholin-4-ylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid

HCID 67181772
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1ccc(-c2csc(N3CCN(N4CCOCC4)CC3)n2)cc1
InChIKey
WUAKUSVSPNHIKG-UHFFFAOYSA-N
Molecular formula
C18H22N4O3S
Average molar mass
374.5 g/mol
Monoisotopic mass
374.14126175

Names & identifiers

Preferred name
4-[2-(4-Morpholin-4-ylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid
IUPAC
4-[2-(4-morpholin-4-ylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid

Database identifiers

PubChem CID
67181772

Properties

Computed structural properties

XLogP
0
Topological polar surface area
97.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
26
Formal charge
0
Complexity
475

Related reactions

1 records
New reaction record
HRID 804593 reaction equation
HRID 804593As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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