Basic information
- CAS
41931-76-4- Standard SMILES
COc1ccc2c(c1)C(N1CCN(CCCO)CC1)=Cc1ccccc1S2.O=C(O)/C=C/C(=O)O- InChIKey
MCIFGSXQQUUYCY-WLHGVMLRSA-N- Molecular formula
- C26H30N2O6S
- Average molar mass
- 498.6 g/mol
- Monoisotopic mass
- 498.18245785
Names & identifiers
- Preferred name
- 1-Piperazinepropanol, 4-(8-methoxydibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;3-[4-(3-methoxybenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
Names & synonyms
1-Piperazinepropanol, 4-(8-methoxydibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)41931-76-4RefChem:10566784-(8-Methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol maleate8-Methoxy-10-(4-(3-hydroxypropyl)piperazino)dibenzo(b,f)thiepin maleate
Database identifiers
- CAS
41931-76-4- PubChem CID
- 6445810
Properties
Computed structural properties
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 626
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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