Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-((4-methoxyphenyl)methyl)-, (Z)-2-butenedioate (1:1)
Basic information
- CAS
23402-08-6- Standard SMILES
COc1ccc(CN2CCN(C3Cc4ccccc4Sc4ccc(Cl)cc43)CC2)cc1.O=C(O)/C=C/C(=O)O- InChIKey
XLDLHQRAPRYOSL-WLHGVMLRSA-N- Molecular formula
- C30H31ClN2O5S
- Average molar mass
- 567.1 g/mol
- Monoisotopic mass
- 566.164221
Names & identifiers
- Preferred name
- Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-((4-methoxyphenyl)methyl)-, (Z)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[(4-methoxyphenyl)methyl]piperazine
Names & synonyms
23402-08-6Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-((4-methoxyphenyl)methyl)-, (Z)-2-butenedioate (1:1)RefChem:1095925
Database identifiers
- CAS
23402-08-6- PubChem CID
- 6445145
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 683
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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