ST038284
Basic information
- CAS
6039-76-5- Standard SMILES
CC(=O)c1cc(F)c(N2CCN(C(=O)c3cccs3)CC2)cc1C- InChIKey
KTPHLDWDVDFFOM-UHFFFAOYSA-N- Molecular formula
- C18H19FN2O2S
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.11512719
Names & identifiers
- Preferred name
- ST038284
- IUPAC
- 1-[5-fluoro-2-methyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone
Names & synonyms
6039-76-5ST038284DTXSID00346112RefChem:381349DTXCID502971851-{5-fluoro-2-methyl-4-[4-(2-thienylcarbonyl)-1-piperazinyl]phenyl}ethanone1-{5-Fluoro-2-methyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl}ethan-1-oneCBMicro_041309KTPHLDWDVDFFOM-UHFFFAOYSA-NSTK765533AKOS001656164Ethanone, 1-[3-fluoro-6-methyl-4-[4-(2-thenoyl)-1-piperazinyl]phenyl]-
Show more names
1-[5-fluoro-2-methyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanoneBIM-0041489.P001EU-0041525AG-205/40649702SR-01000462253SR-01000462253-11-acetyl-5-fluoro-2-methyl-4-[4-(2-thienylcarbonyl)piperazinyl]benzene1-(5-Fluoro-2-methyl-4-[4-(2-thienylcarbonyl)-1-piperazinyl]phenyl)ethanone #
Database identifiers
- CAS
6039-76-5- PubChem CID
- 609745
- DTXSID
DTXSID00346112
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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