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Basic information
- Standard SMILES
CC(=O)OCCCN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1- InChIKey
BPQFFLXABRYYAH-UHFFFAOYSA-N- Molecular formula
- C23H27ClN2O2S
- Average molar mass
- 431 g/mol
- Monoisotopic mass
- 430.148177
Names & identifiers
- Preferred name
- 3-[4-(3-Chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl acetate
- IUPAC
- 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl acetate
Names & synonyms
AKOS005065434
Database identifiers
- PubChem CID
- 210845
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 543
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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