Piperazine, 1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-ethyl-, maleate (1:1)
Basic information
- CAS
4789-62-2- Standard SMILES
CCN1CCN(C2Cc3ccccc3Sc3ccccc32)CC1.O=C(O)/C=C/C(=O)O- InChIKey
NVSSBIXBPOFLAW-WLHGVMLRSA-N- Molecular formula
- C24H28N2O4S
- Average molar mass
- 440.6 g/mol
- Monoisotopic mass
- 440.17697855
Names & identifiers
- Preferred name
- Piperazine, 1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-ethyl-, maleate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-ethylpiperazine
Names & synonyms
Piperazine, 1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-ethyl-, maleate (1:1)4789-62-2RefChem:109574910-(4-Ethylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate1-(10,11-Dihydrodibenzo(b,f)thiepin-10-yl)-4-ethylpiperazine maleate
Database identifiers
- CAS
4789-62-2- PubChem CID
- 6444463
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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