Piperazine, 1-(10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate, hydrate (2:4:1)
Basic information
- CAS
60969-97-3- Standard SMILES
COc1cc2c(cc1OC)Sc1ccccc1C(N1CCN(C)CC1)C2.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
UMOSEVJZPMOGEY-LVEZLNDCSA-N- Molecular formula
- C29H34N2O10S
- Average molar mass
- 602.7 g/mol
- Monoisotopic mass
- 602.19341646
Names & identifiers
- Preferred name
- Piperazine, 1-(10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate, hydrate (2:4:1)
- IUPAC
- bis((E)-but-2-enedioic acid);1-(2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
Names & synonyms
Piperazine, 1-(10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate, hydrate (2:4:1)60969-97-3RefChem:10957052,3-Dimethoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b.f)thiepin dimaleate hemihydrate
Database identifiers
- CAS
60969-97-3- PubChem CID
- 6446476
Properties
Computed structural properties
- Topological polar surface area
- 199 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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