Basic information
- CAS
433246-56-1- Standard SMILES
COc1cccc(N2CCN(C(=S)Nc3ccc(F)cc3)CC2)c1- InChIKey
OFCAGVSMEWZPFA-UHFFFAOYSA-N- Molecular formula
- C18H20FN3OS
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.13111161
Names & identifiers
- Preferred name
- N-(4-fluorophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide
- IUPAC
- N-(4-fluorophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide
Names & synonyms
N-(4-fluorophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide433246-56-1Oprea1_524948MLS001212522CHEMBL1404288DTXSID301333598HMS2828F10STK1434154-(3-Methoxy-phenyl)-piperazine-1-carbothioic acid (4-fluoro-phenyl)-amideAKOS000663514SMR000523120ST50276629
Show more names
[(4-fluorophenyl)amino][4-(3-methoxyphenyl)piperazinyl]methane-1-thione
Database identifiers
- CAS
433246-56-1- PubChem CID
- 795657
- DTXSID
DTXSID301333598- ChEMBL
CHEMBL1404288
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 409
Experimental & physicochemical properties
Solubility0.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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