Dehydrochlothepin
Basic information
- CAS
22431-21-6- Standard SMILES
CN1CCN(C2=Cc3ccccc3Sc3ccc(Cl)cc32)CC1- InChIKey
QBQNBLXYDPHRPV-UHFFFAOYSA-N- Molecular formula
- C19H19ClN2S
- Average molar mass
- 342.9 g/mol
- Monoisotopic mass
- 342.0957475
Names & identifiers
- Preferred name
- Dehydrochlothepin
- IUPAC
- 1-(3-chlorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Names & synonyms
DehydrochlothepinDehydroclothepinBRN 0625720UNII-96K8AFN5K896K8AFN5K822431-21-6Piperazine, 1-(8-chlorodibenzo(b,f)thiepin-10-yl)-4-methyl-8-Chloro-10-(4-methylpiperazino)dibenzo(b,f)thiepin1-(8-chlorodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine1-(8-Chlorodibenzo(b,f)thiepin-10-yl)-4-methylpiperazineDTXSID101769675-23-02-00448 (Beilstein Handbook Reference)
Show more names
8-CHLORO-10-(4-METHYLPIPERAZINO)DIBENZO(B,F)THIEPINE8-CHLORO-10-(4-METHYLPIPERAZINYL)DIBENZO(B,F)THIEPINRefChem:131474DTXCID9099458SCHEMBL10872963AKOS0050653678-Chlor-10-(4-methylpiperazino)dibenzo(b,f)thiepinQ27271906
Database identifiers
- CAS
22431-21-6- PubChem CID
- 211145
- DTXSID
DTXSID10176967- UNII
- 96K8AFN5K8
- Nikkaji
- J780.417B
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 31.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 447
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Related reactions
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Compound notes
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