Ethanone, 1-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, (Z)-2-butenedioate (1:1)
Basic information
- CAS
55301-76-3- Standard SMILES
CC(=O)c1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2.O=C(O)/C=C\C(=O)O- InChIKey
ZGSVWLFDZAHUNW-BTJKTKAUSA-N- Molecular formula
- C25H28N2O5S
- Average molar mass
- 468.6 g/mol
- Monoisotopic mass
- 468.17189317
Names & identifiers
- Preferred name
- Ethanone, 1-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, (Z)-2-butenedioate (1:1)
- IUPAC
- (Z)-but-2-enedioic acid;1-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone
Names & synonyms
55301-76-3Ethanone, 1-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, (Z)-2-butenedioate (1:1)RefChem:1084512VUFB-101141-(10,11-Dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)ethanone maleate (1:1)62618-60-48-Acetyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate1-(10,11-Dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)ethanone maleate11-(4-Methylpiperazinocarbonylmethyl)-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleateEthanone, 1-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, (Z)-2-butenedioate
Database identifiers
- CAS
55301-76-3、62618-60-4- PubChem CID
- 6434501
Properties
Computed structural properties
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 595
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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