Basic information
- CAS
34770-77-9- Standard SMILES
COc1ccc2c(c1)C(N1CCN(CCCO)CC1)Cc1ccccc1S2- InChIKey
QLLPMKXGTXHYPG-UHFFFAOYSA-N- Molecular formula
- C22H28N2O2S
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.18714931
Names & identifiers
- Preferred name
- 4-(10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol
- IUPAC
- 3-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
Names & synonyms
34770-77-98-Methoxy-10-(4-(3-hydroxypropyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepinBRN 06296094-(10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol3-[4-(8-methoxy-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-piperazinyl]-1-propanol8-methoxy-10-[4-(3-hydroxypropyl)piperazino]-10,11-dihydrodibenzo[b,f]thiepin1-Piperazinepropanol, 4-(10,11-dihydro-8-methoxydibenz0(b,f)thiepin-10-yl)-3-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-olSCHEMBL11848213DTXSID00956250AKOS005065883AE-641/00612054
Show more names
AE-641/301010363-[4-(8-Methoxy-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazin-1-yl]propan-1-ol
Database identifiers
- CAS
34770-77-9- PubChem CID
- 207296
- DTXSID
DTXSID00956250
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 458
Related reactions
4 records
Compound notes
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