Piperazine, 1-benzyl-4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate, hydrate (2:2:1)
Basic information
- CAS
19939-36-7- Standard SMILES
Clc1ccc2c(c1)C(N1CCN(Cc3ccccc3)CC1)Cc1ccccc1S2.O=C(O)/C=C/C(=O)O- InChIKey
QXDGEQGLUAGVBK-WLHGVMLRSA-N- Molecular formula
- C29H29ClN2O4S
- Average molar mass
- 537.1 g/mol
- Monoisotopic mass
- 536.1536563
Names & identifiers
- Preferred name
- Piperazine, 1-benzyl-4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate, hydrate (2:2:1)
- IUPAC
- 1-benzyl-4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine;(E)-but-2-enedioic acid
Names & synonyms
Piperazine, 1-benzyl-4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, maleate, hydrate (2:2:1)19939-36-7RefChem:10959988-Chloro-10-(4-benzylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate hemihydrate
Database identifiers
- CAS
19939-36-7- PubChem CID
- 6445052
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 636
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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