Benzoic acid, 4-[2-[4-(2-methoxyethyl)-1-piperazinyl]-4-thiazolyl]-
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Basic information
- CAS
860343-99-3- Standard SMILES
COCCN1CCN(c2nc(-c3ccc(C(=O)O)cc3)cs2)CC1- InChIKey
AECPLWYYFCBDJC-UHFFFAOYSA-N- Molecular formula
- C17H21N3O3S
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.13036253
Names & identifiers
- Preferred name
- Benzoic acid, 4-[2-[4-(2-methoxyethyl)-1-piperazinyl]-4-thiazolyl]-
- IUPAC
- 4-[2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazol-4-yl]benzoic acid
Names & synonyms
860343-99-3Benzoic acid, 4-[2-[4-(2-methoxyethyl)-1-piperazinyl]-4-thiazolyl]-SCHEMBL1473968DTXSID30470095AECPLWYYFCBDJC-UHFFFAOYSA-N4-{2-[4-(2-Methoxy-ethyl)-piperazin-1-yl]-thiazol-4-yl}-benzoic acid4-{2-[4-(2-Methoxy-ethyl)-piperazin-1-yl]thiazol-4-yl}-benzoic acid4-{2-[4-(2-METHOXYETHYL)PIPERAZIN-1-YL]-1,3-THIAZOL-4-YL}BENZOIC ACID
Database identifiers
- CAS
860343-99-3- PubChem CID
- 11653147
- DTXSID
DTXSID30470095
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 410
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Related reactions
1 records
Compound notes
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