Piperazine, 1-(8-chloro-10,11-dihydro-3-methoxydibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)
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Basic information
- CAS
69231-67-0- Standard SMILES
COc1ccc2c(c1)Sc1ccc(Cl)cc1C(N1CCNCC1)C2.O=C(O)/C=C/C(=O)O- InChIKey
ORFPYDCNKROJJP-BTJKTKAUSA-N- Molecular formula
- C23H25ClN2O5S
- Average molar mass
- 477 g/mol
- Monoisotopic mass
- 476.1172708
Names & identifiers
- Preferred name
- Piperazine, 1-(8-chloro-10,11-dihydro-3-methoxydibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;1-(3-chloro-9-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
- English name
- 8-Chloro-3-methoxy-10-piperazino-10,11-dihydrodibenzo(b,f)thiepin male ate
- Molecular weight
- 0
Names & synonyms
69231-67-0Piperazine, 1-(8-chloro-10,11-dihydro-3-methoxydibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)RefChem:1095914VUFB-106888-Chloro-3-methoxy-10-piperazino-10,11-dihydrodibenzo(b,f)thiepin maleate8-Chloro-3-methoxy-10-piperazino-10,11-dihydrodibenzo(b,f)thiepin male ate
Database identifiers
- CAS
69231-67-0- PubChem CID
- 6446971
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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