Basic information
- CAS
56097-17-7- Standard SMILES
CN1CCN(C2=Cc3ccc(F)cc3Sc3ccc(Cl)cc32)CC1.O=C(O)/C=C/C(=O)O- InChIKey
GTUPVHUAQPDPNC-WLHGVMLRSA-N- Molecular formula
- C23H22ClFN2O4S
- Average molar mass
- 476.9 g/mol
- Monoisotopic mass
- 476.0972842
Names & identifiers
- Preferred name
- Piperazine, 1-(8-chloro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;1-(3-chloro-9-fluorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Names & synonyms
Piperazine, 1-(8-chloro-3-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)56097-17-7RefChem:10959478-Chloro-3-fluoro-10-(4-methylpiperazino)dibenzo(b,f)thiepin maleate
Database identifiers
- CAS
56097-17-7- PubChem CID
- 6446277
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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